From 1296e12ddf897dcc89082ef608c0ee9c967b87cf Mon Sep 17 00:00:00 2001 From: daniel-dudt Date: Wed, 25 Sep 2024 15:59:52 -0400 Subject: [PATCH 01/29] fix bug in FixOmniBmax constraint --- desc/objectives/linear_objectives.py | 2 +- tests/test_linear_objectives.py | 21 +++++++++++++++++++++ 2 files changed, 22 insertions(+), 1 deletion(-) diff --git a/desc/objectives/linear_objectives.py b/desc/objectives/linear_objectives.py index 6ef14660c..6f302f2df 100644 --- a/desc/objectives/linear_objectives.py +++ b/desc/objectives/linear_objectives.py @@ -3065,7 +3065,7 @@ def build(self, use_jit=True, verbose=1): np.logical_and((basis.modes[:, 1] % 2 == 0), basis.modes[:, 1] > 0), ) )[0] - mm = basis.modes[idx_m, 2] + mm = basis.modes[idx_m, 1] self._A[i, idx_0] = 1 self._A[i, idx_m] = (mm % 2 - 1) * (mm % 4 - 1) diff --git a/tests/test_linear_objectives.py b/tests/test_linear_objectives.py index ada80267d..117f4996e 100644 --- a/tests/test_linear_objectives.py +++ b/tests/test_linear_objectives.py @@ -36,6 +36,7 @@ FixNearAxisLambda, FixNearAxisR, FixNearAxisZ, + FixOmniBmax, FixOmniMap, FixOmniWell, FixParameters, @@ -915,6 +916,26 @@ def test_fix_omni_indices(): assert constraint.dim_f == indices.size +@pytest.mark.unit +def test_fix_omni_Bmax(): + """Test that omnigenity parameters are constrained for B_max to be a straight line. + + Test for GH issue #1266. + """ + + def _test(M_x, N_x, NFP, sum): + field = OmnigenousField(L_x=2, M_x=M_x, N_x=N_x, NFP=NFP, helicity=(1, NFP)) + constraint = FixOmniBmax(field=field) + constraint.build() + assert constraint.dim_f == (2 * field.N_x + 1) * (field.L_x + 1) + # 0 - 2 + 4 - 6 + 8 ... + np.testing.assert_allclose(constraint._A @ field.x_basis.modes[:, 1], sum) + + _test(M_x=6, N_x=3, NFP=1, sum=-4) + _test(M_x=9, N_x=5, NFP=2, sum=4) + _test(M_x=12, N_x=5, NFP=3, sum=6) + + @pytest.mark.unit def test_fix_parameters_input_order(DummyStellarator): """Test that FixParameters preserves the input indices and target ordering.""" From af1880c123664823c279bec95d78c8899a48eecf Mon Sep 17 00:00:00 2001 From: daniel-dudt Date: Wed, 25 Sep 2024 16:03:09 -0400 Subject: [PATCH 02/29] change test resolution --- tests/test_linear_objectives.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/test_linear_objectives.py b/tests/test_linear_objectives.py index 117f4996e..982e98d5d 100644 --- a/tests/test_linear_objectives.py +++ b/tests/test_linear_objectives.py @@ -932,7 +932,7 @@ def _test(M_x, N_x, NFP, sum): np.testing.assert_allclose(constraint._A @ field.x_basis.modes[:, 1], sum) _test(M_x=6, N_x=3, NFP=1, sum=-4) - _test(M_x=9, N_x=5, NFP=2, sum=4) + _test(M_x=9, N_x=4, NFP=2, sum=4) _test(M_x=12, N_x=5, NFP=3, sum=6) From 0222f86067135c9afd094ed8078ae42be835414c Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Thu, 26 Sep 2024 16:20:16 +0200 Subject: [PATCH 03/29] fixed typos in plotting --- desc/plotting.py | 80 ++++++++++++++++++++++++------------------------ 1 file changed, 40 insertions(+), 40 deletions(-) diff --git a/desc/plotting.py b/desc/plotting.py index b3c8fdeb1..999d588ad 100644 --- a/desc/plotting.py +++ b/desc/plotting.py @@ -439,7 +439,7 @@ def plot_1d(eq, name, grid=None, log=False, ax=None, return_data=False, **kwargs ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -465,7 +465,7 @@ def plot_1d(eq, name, grid=None, log=False, ax=None, return_data=False, **kwargs ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -584,7 +584,7 @@ def plot_2d( ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -613,7 +613,7 @@ def plot_2d( ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -849,7 +849,7 @@ def plot_3d( fig : plotly.graph_objs._figure.Figure, optional Figure to plot on return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -876,7 +876,7 @@ def plot_3d( fig : plotly.graph_objs._figure.Figure Figure being plotted to plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -1111,7 +1111,7 @@ def plot_fsa( # noqa: C901 ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -1137,7 +1137,7 @@ def plot_fsa( # noqa: C901 ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -1303,7 +1303,7 @@ def plot_section( ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -1331,7 +1331,7 @@ def plot_section( ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -1515,7 +1515,7 @@ def plot_surfaces(eq, rho=8, theta=8, phi=None, ax=None, return_data=False, **kw ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -1555,7 +1555,7 @@ def plot_surfaces(eq, rho=8, theta=8, phi=None, ax=None, return_data=False, **kw ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -1767,7 +1767,7 @@ def poincare_plot( ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -1794,7 +1794,7 @@ def poincare_plot( ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` """ fli_kwargs = {} for key in inspect.signature(field_line_integrate).parameters: @@ -1899,7 +1899,7 @@ def plot_boundary(eq, phi=None, plot_axis=True, ax=None, return_data=False, **kw ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -1926,7 +1926,7 @@ def plot_boundary(eq, phi=None, plot_axis=True, ax=None, return_data=False, **kw ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -2052,7 +2052,7 @@ def plot_boundaries( ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -2080,7 +2080,7 @@ def plot_boundaries( ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -2250,7 +2250,7 @@ def plot_comparison( labels : array-like Array the same length as eqs of labels to apply to each equilibrium. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -2273,7 +2273,7 @@ def plot_comparison( ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -2403,7 +2403,7 @@ def plot_coils(coils, grid=None, fig=None, return_data=False, **kwargs): fig : plotly.graph_objs._figure.Figure, optional Figure to plot on return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -2422,7 +2422,7 @@ def plot_coils(coils, grid=None, fig=None, return_data=False, **kwargs): fig : plotly.graph_objs._figure.Figure Figure being plotted to plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` """ lw = kwargs.pop("lw", 5) @@ -2569,7 +2569,7 @@ def plot_boozer_modes( # noqa: C901 ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -2597,7 +2597,7 @@ def plot_boozer_modes( # noqa: C901 ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -2738,9 +2738,9 @@ def plot_boozer_surface( thing : Equilibrium or OmnigenousField Object from which to plot. grid_compute : Grid, optional - grid to use for computing boozer spectrum + Grid to use for computing boozer spectrum grid_plot : Grid, optional - grid to plot on + Grid to plot on rho : float, optional Radial coordinate of flux surface. Used only if grids are not specified. fill : bool, optional @@ -2752,7 +2752,7 @@ def plot_boozer_surface( ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -2772,11 +2772,11 @@ def plot_boozer_surface( Returns ------- fig : matplotlib.figure.Figure - figure being plotted to + Figure being plotted to ax : matplotlib.axes.Axes or ndarray of Axes - axes being plotted to + Axes being plotted to plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -2953,7 +2953,7 @@ def plot_qs_error( # noqa: 16 fxn too complex ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -2987,7 +2987,7 @@ def plot_qs_error( # noqa: 16 fxn too complex ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -3140,7 +3140,7 @@ def plot_grid(grid, return_data=False, **kwargs): grid : Grid Grid to plot. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -3159,7 +3159,7 @@ def plot_grid(grid, return_data=False, **kwargs): ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -3245,7 +3245,7 @@ def plot_basis(basis, return_data=False, **kwargs): basis : Basis basis to plot return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -3267,7 +3267,7 @@ def plot_basis(basis, return_data=False, **kwargs): 2d or 3d bases return an ndarray or dict of axes. return_data : bool if True, return the data plotted as well as fig,ax plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -3483,19 +3483,19 @@ def plot_logo(save_path=None, **kwargs): Parameters ---------- save_path : str or path-like - path to save the figure to. + Path to save the figure to. File format is inferred from the filename (Default value = None) **kwargs : dict, optional - additional plot formatting parameters. + Additional plot formatting parameters. options include ``'D_color'``, ``'D_color_rho'``, ``'D_color_theta'``, ``'E_color'``, ``'Scolor'``, ``'C_color'``, ``'BGcolor'``, ``'fig_width'`` Returns ------- fig : matplotlib.figure.Figure - handle to the figure used for plotting + Handle to the figure used for plotting ax : matplotlib.axes.Axes - handle to the axis used for plotting + Handle to the axis used for plotting Examples -------- From 238cfe9b5fad9b0249b0b845d8f2fb36948a8ed2 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Thu, 26 Sep 2024 16:22:54 +0200 Subject: [PATCH 04/29] Plot legend on axis instead of figure (support subplots) --- desc/plotting.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/desc/plotting.py b/desc/plotting.py index 999d588ad..ea19c590a 100644 --- a/desc/plotting.py +++ b/desc/plotting.py @@ -2016,7 +2016,7 @@ def plot_boundary(eq, phi=None, plot_axis=True, ax=None, return_data=False, **kw ax.set_ylabel(_AXIS_LABELS_RPZ[2], fontsize=ylabel_fontsize) ax.tick_params(labelbottom=True, labelleft=True) - fig.legend(**legend_kw) + ax.legend(**legend_kw) _set_tight_layout(fig) plot_data = {} @@ -2190,7 +2190,7 @@ def plot_boundaries( ax.tick_params(labelbottom=True, labelleft=True) if any(labels) and kwargs.pop("legend", True): - fig.legend(**kwargs.pop("legend_kw", {})) + ax.legend(**kwargs.pop("legend_kw", {})) _set_tight_layout(fig) assert ( @@ -2706,7 +2706,7 @@ def plot_boozer_modes( # noqa: C901 ax.set_ylabel(ylabel, fontsize=ylabel_fontsize) if kwargs.pop("legend", True): - fig.legend(**kwargs.pop("legend_kw", {"loc": "lower right"})) + ax.legend(**kwargs.pop("legend_kw", {"loc": "lower right"})) assert ( len(kwargs) == 0 @@ -3119,7 +3119,7 @@ def plot_qs_error( # noqa: 16 fxn too complex ax.set_ylabel(ylabel, fontsize=ylabel_fontsize) if kwargs.pop("legend", True): - fig.legend(**kwargs.pop("legend_kw", {"loc": "center right"})) + ax.legend(**kwargs.pop("legend_kw", {"loc": "center right"})) assert ( len(kwargs) == 0 From 4a5f45ee8d99339c7763ad87a904f0d3396d008f Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Thu, 26 Sep 2024 16:30:59 +0200 Subject: [PATCH 05/29] consistent wording surrounding axes --- desc/plotting.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/desc/plotting.py b/desc/plotting.py index ea19c590a..106d5d62a 100644 --- a/desc/plotting.py +++ b/desc/plotting.py @@ -3263,7 +3263,7 @@ def plot_basis(basis, return_data=False, **kwargs): fig : matplotlib.figure.Figure Figure being plotted to. ax : matplotlib.axes.Axes, ndarray of axes, or dict of axes - Axes used for plotting. A single axis is used for 1d basis functions, + Axes being plotted to. A single axis is used for 1d basis functions, 2d or 3d bases return an ndarray or dict of axes. return_data : bool if True, return the data plotted as well as fig,ax plot_data : dict @@ -3493,9 +3493,9 @@ def plot_logo(save_path=None, **kwargs): Returns ------- fig : matplotlib.figure.Figure - Handle to the figure used for plotting + Figure being plotted to. ax : matplotlib.axes.Axes - Handle to the axis used for plotting + Axis being plotted to. Examples -------- From 4af913871804797ad41e1af4377af7ad358e0326 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Thu, 26 Sep 2024 17:05:20 +0200 Subject: [PATCH 06/29] Fix legends appearing on fig instead of ax --- desc/plotting.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/desc/plotting.py b/desc/plotting.py index b3c8fdeb1..e7ba10b5d 100644 --- a/desc/plotting.py +++ b/desc/plotting.py @@ -2016,7 +2016,7 @@ def plot_boundary(eq, phi=None, plot_axis=True, ax=None, return_data=False, **kw ax.set_ylabel(_AXIS_LABELS_RPZ[2], fontsize=ylabel_fontsize) ax.tick_params(labelbottom=True, labelleft=True) - fig.legend(**legend_kw) + ax.legend(**legend_kw) _set_tight_layout(fig) plot_data = {} @@ -2190,7 +2190,7 @@ def plot_boundaries( ax.tick_params(labelbottom=True, labelleft=True) if any(labels) and kwargs.pop("legend", True): - fig.legend(**kwargs.pop("legend_kw", {})) + ax.legend(**kwargs.pop("legend_kw", {})) _set_tight_layout(fig) assert ( @@ -2706,7 +2706,7 @@ def plot_boozer_modes( # noqa: C901 ax.set_ylabel(ylabel, fontsize=ylabel_fontsize) if kwargs.pop("legend", True): - fig.legend(**kwargs.pop("legend_kw", {"loc": "lower right"})) + ax.legend(**kwargs.pop("legend_kw", {"loc": "lower right"})) assert ( len(kwargs) == 0 @@ -3119,7 +3119,7 @@ def plot_qs_error( # noqa: 16 fxn too complex ax.set_ylabel(ylabel, fontsize=ylabel_fontsize) if kwargs.pop("legend", True): - fig.legend(**kwargs.pop("legend_kw", {"loc": "center right"})) + ax.legend(**kwargs.pop("legend_kw", {"loc": "center right"})) assert ( len(kwargs) == 0 From 46ede8d97f6e07c04f86715915191ea6092142b1 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Thu, 26 Sep 2024 17:14:03 +0200 Subject: [PATCH 07/29] Fix inconsistent wording in docstrings --- desc/plotting.py | 82 ++++++++++++++++++++++++------------------------ 1 file changed, 41 insertions(+), 41 deletions(-) diff --git a/desc/plotting.py b/desc/plotting.py index b3c8fdeb1..0ff0bbe3b 100644 --- a/desc/plotting.py +++ b/desc/plotting.py @@ -439,7 +439,7 @@ def plot_1d(eq, name, grid=None, log=False, ax=None, return_data=False, **kwargs ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -465,7 +465,7 @@ def plot_1d(eq, name, grid=None, log=False, ax=None, return_data=False, **kwargs ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -584,7 +584,7 @@ def plot_2d( ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -613,7 +613,7 @@ def plot_2d( ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -849,7 +849,7 @@ def plot_3d( fig : plotly.graph_objs._figure.Figure, optional Figure to plot on return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -876,7 +876,7 @@ def plot_3d( fig : plotly.graph_objs._figure.Figure Figure being plotted to plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -1111,7 +1111,7 @@ def plot_fsa( # noqa: C901 ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -1137,7 +1137,7 @@ def plot_fsa( # noqa: C901 ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -1303,7 +1303,7 @@ def plot_section( ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -1331,7 +1331,7 @@ def plot_section( ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -1515,7 +1515,7 @@ def plot_surfaces(eq, rho=8, theta=8, phi=None, ax=None, return_data=False, **kw ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -1555,7 +1555,7 @@ def plot_surfaces(eq, rho=8, theta=8, phi=None, ax=None, return_data=False, **kw ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -1767,7 +1767,7 @@ def poincare_plot( ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -1794,7 +1794,7 @@ def poincare_plot( ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` """ fli_kwargs = {} for key in inspect.signature(field_line_integrate).parameters: @@ -1899,7 +1899,7 @@ def plot_boundary(eq, phi=None, plot_axis=True, ax=None, return_data=False, **kw ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -1926,7 +1926,7 @@ def plot_boundary(eq, phi=None, plot_axis=True, ax=None, return_data=False, **kw ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -2052,7 +2052,7 @@ def plot_boundaries( ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -2080,7 +2080,7 @@ def plot_boundaries( ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -2250,7 +2250,7 @@ def plot_comparison( labels : array-like Array the same length as eqs of labels to apply to each equilibrium. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -2273,7 +2273,7 @@ def plot_comparison( ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -2403,7 +2403,7 @@ def plot_coils(coils, grid=None, fig=None, return_data=False, **kwargs): fig : plotly.graph_objs._figure.Figure, optional Figure to plot on return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -2422,7 +2422,7 @@ def plot_coils(coils, grid=None, fig=None, return_data=False, **kwargs): fig : plotly.graph_objs._figure.Figure Figure being plotted to plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` """ lw = kwargs.pop("lw", 5) @@ -2569,7 +2569,7 @@ def plot_boozer_modes( # noqa: C901 ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -2597,7 +2597,7 @@ def plot_boozer_modes( # noqa: C901 ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -2738,9 +2738,9 @@ def plot_boozer_surface( thing : Equilibrium or OmnigenousField Object from which to plot. grid_compute : Grid, optional - grid to use for computing boozer spectrum + Grid to use for computing boozer spectrum grid_plot : Grid, optional - grid to plot on + Grid to plot on rho : float, optional Radial coordinate of flux surface. Used only if grids are not specified. fill : bool, optional @@ -2752,7 +2752,7 @@ def plot_boozer_surface( ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -2772,11 +2772,11 @@ def plot_boozer_surface( Returns ------- fig : matplotlib.figure.Figure - figure being plotted to + Figure being plotted to ax : matplotlib.axes.Axes or ndarray of Axes - axes being plotted to + Axes being plotted to plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -2953,7 +2953,7 @@ def plot_qs_error( # noqa: 16 fxn too complex ax : matplotlib AxesSubplot, optional Axis to plot on. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -2987,7 +2987,7 @@ def plot_qs_error( # noqa: 16 fxn too complex ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -3140,7 +3140,7 @@ def plot_grid(grid, return_data=False, **kwargs): grid : Grid Grid to plot. return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -3159,7 +3159,7 @@ def plot_grid(grid, return_data=False, **kwargs): ax : matplotlib.axes.Axes or ndarray of Axes Axes being plotted to. plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -3245,7 +3245,7 @@ def plot_basis(basis, return_data=False, **kwargs): basis : Basis basis to plot return_data : bool - if True, return the data plotted as well as fig,ax + If True, return the data plotted as well as fig,ax **kwargs : dict, optional Specify properties of the figure, axis, and plot appearance e.g.:: @@ -3263,11 +3263,11 @@ def plot_basis(basis, return_data=False, **kwargs): fig : matplotlib.figure.Figure Figure being plotted to. ax : matplotlib.axes.Axes, ndarray of axes, or dict of axes - Axes used for plotting. A single axis is used for 1d basis functions, + Axes being plotted to. A single axis is used for 1d basis functions, 2d or 3d bases return an ndarray or dict of axes. return_data : bool if True, return the data plotted as well as fig,ax plot_data : dict - dictionary of the data plotted, only returned if ``return_data=True`` + Dictionary of the data plotted, only returned if ``return_data=True`` Examples -------- @@ -3483,19 +3483,19 @@ def plot_logo(save_path=None, **kwargs): Parameters ---------- save_path : str or path-like - path to save the figure to. + Path to save the figure to. File format is inferred from the filename (Default value = None) **kwargs : dict, optional - additional plot formatting parameters. + Additional plot formatting parameters. options include ``'D_color'``, ``'D_color_rho'``, ``'D_color_theta'``, ``'E_color'``, ``'Scolor'``, ``'C_color'``, ``'BGcolor'``, ``'fig_width'`` Returns ------- fig : matplotlib.figure.Figure - handle to the figure used for plotting + Figure being plotted to. ax : matplotlib.axes.Axes - handle to the axis used for plotting + Axis being plotted to. Examples -------- From 258d7211fca92103b08c61ae740d0f82afd3e12d Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Thu, 26 Sep 2024 17:39:29 +0200 Subject: [PATCH 08/29] Fix punctuation and wording in plotting.py (#1252) --- desc/plotting.py | 20 ++++++++++---------- 1 file changed, 10 insertions(+), 10 deletions(-) diff --git a/desc/plotting.py b/desc/plotting.py index 106d5d62a..430c9ad53 100644 --- a/desc/plotting.py +++ b/desc/plotting.py @@ -133,7 +133,7 @@ def _format_ax(ax, is3d=False, rows=1, cols=1, figsize=None, equal=False): Parameters ---------- ax : None or matplotlib AxesSubplot instance - Axis to plot to. + Axis to plot on. is3d: bool Whether the plot is three-dimensional. rows : int, optional @@ -847,7 +847,7 @@ def plot_3d( log : bool, optional Whether to use a log scale. fig : plotly.graph_objs._figure.Figure, optional - Figure to plot on + Figure to plot on. return_data : bool If True, return the data plotted as well as fig,ax **kwargs : dict, optional @@ -2016,7 +2016,7 @@ def plot_boundary(eq, phi=None, plot_axis=True, ax=None, return_data=False, **kw ax.set_ylabel(_AXIS_LABELS_RPZ[2], fontsize=ylabel_fontsize) ax.tick_params(labelbottom=True, labelleft=True) - ax.legend(**legend_kw) + fig.legend(**legend_kw) _set_tight_layout(fig) plot_data = {} @@ -2190,7 +2190,7 @@ def plot_boundaries( ax.tick_params(labelbottom=True, labelleft=True) if any(labels) and kwargs.pop("legend", True): - ax.legend(**kwargs.pop("legend_kw", {})) + fig.legend(**kwargs.pop("legend_kw", {})) _set_tight_layout(fig) assert ( @@ -2397,11 +2397,11 @@ def plot_coils(coils, grid=None, fig=None, return_data=False, **kwargs): Parameters ---------- coils : Coil, CoilSet, Curve, or iterable - Coil or coils to plot + Coil or coils to plot. grid : Grid, optional Grid to use for evaluating geometry fig : plotly.graph_objs._figure.Figure, optional - Figure to plot on + Figure to plot on. return_data : bool If True, return the data plotted as well as fig,ax **kwargs : dict, optional @@ -2706,7 +2706,7 @@ def plot_boozer_modes( # noqa: C901 ax.set_ylabel(ylabel, fontsize=ylabel_fontsize) if kwargs.pop("legend", True): - ax.legend(**kwargs.pop("legend_kw", {"loc": "lower right"})) + fig.legend(**kwargs.pop("legend_kw", {"loc": "lower right"})) assert ( len(kwargs) == 0 @@ -2740,7 +2740,7 @@ def plot_boozer_surface( grid_compute : Grid, optional Grid to use for computing boozer spectrum grid_plot : Grid, optional - Grid to plot on + Grid to plot on. rho : float, optional Radial coordinate of flux surface. Used only if grids are not specified. fill : bool, optional @@ -3119,7 +3119,7 @@ def plot_qs_error( # noqa: 16 fxn too complex ax.set_ylabel(ylabel, fontsize=ylabel_fontsize) if kwargs.pop("legend", True): - ax.legend(**kwargs.pop("legend_kw", {"loc": "center right"})) + fig.legend(**kwargs.pop("legend_kw", {"loc": "center right"})) assert ( len(kwargs) == 0 @@ -3495,7 +3495,7 @@ def plot_logo(save_path=None, **kwargs): fig : matplotlib.figure.Figure Figure being plotted to. ax : matplotlib.axes.Axes - Axis being plotted to. + Axes being plotted to. Examples -------- From 90adb3e5210266045e01b5b2f949ee2c5bc79f39 Mon Sep 17 00:00:00 2001 From: "Dario G. Panici" Date: Thu, 26 Sep 2024 21:14:53 -0400 Subject: [PATCH 09/29] let check_intersection be passed to coilset methods --- desc/coils.py | 73 +++++++++++++++++++++++++++++++++++++++------------ 1 file changed, 56 insertions(+), 17 deletions(-) diff --git a/desc/coils.py b/desc/coils.py index 9ffc5015c..be954c115 100644 --- a/desc/coils.py +++ b/desc/coils.py @@ -446,7 +446,7 @@ def __repr__(self): + " (name={}, current={})".format(self.name, self.current) ) - def to_FourierXYZ(self, N=10, grid=None, s=None, name=""): + def to_FourierXYZ(self, N=10, grid=None, s=None, name="", **kwargs): """Convert coil to FourierXYZCoil representation. Parameters @@ -479,7 +479,7 @@ def to_FourierXYZ(self, N=10, grid=None, s=None, name=""): self.current, coords, N=N, s=s, basis="xyz", name=name ) - def to_SplineXYZ(self, knots=None, grid=None, method="cubic", name=""): + def to_SplineXYZ(self, knots=None, grid=None, method="cubic", name="", **kwargs): """Convert coil to SplineXYZCoil. Parameters @@ -519,7 +519,7 @@ def to_SplineXYZ(self, knots=None, grid=None, method="cubic", name=""): self.current, coords, knots=knots, method=method, name=name, basis="xyz" ) - def to_FourierRZ(self, N=10, grid=None, NFP=None, sym=False, name=""): + def to_FourierRZ(self, N=10, grid=None, NFP=None, sym=False, name="", **kwargs): """Convert Coil to FourierRZCoil representation. Note that some types of coils may not be representable in this basis. @@ -553,7 +553,7 @@ def to_FourierRZ(self, N=10, grid=None, NFP=None, sym=False, name=""): self.current, coords, N=N, NFP=NFP, basis="xyz", sym=sym, name=name ) - def to_FourierPlanar(self, N=10, grid=None, basis="xyz", name=""): + def to_FourierPlanar(self, N=10, grid=None, basis="xyz", name="", **kwargs): """Convert Coil to FourierPlanarCoil representation. Note that some types of coils may not be representable in this basis. @@ -1705,7 +1705,7 @@ def from_symmetry(cls, coils, NFP=1, sym=False): return cls(*coilset) @classmethod - def from_makegrid_coilfile(cls, coil_file, method="cubic"): + def from_makegrid_coilfile(cls, coil_file, method="cubic", check_intersection=True): """Create a CoilSet of SplineXYZCoils from a MAKEGRID-formatted coil txtfile. If the MAKEGRID contains more than one coil group (denoted by the number listed @@ -1730,6 +1730,8 @@ def from_makegrid_coilfile(cls, coil_file, method="cubic"): the data, and will not introduce new extrema in the interpolated points - ``'monotonic-0'``: same as `'monotonic'` but with 0 first derivatives at both endpoints + check_intersection : bool + whether to check the resulting coilsets for intersecting coils. """ coils = [] # list of SplineXYZCoils, ignoring coil groups @@ -1805,7 +1807,7 @@ def from_makegrid_coilfile(cls, coil_file, method="cubic"): ) try: - return cls(*coils) + return cls(*coils, check_intersection=check_intersection) except ValueError as e: errorif( True, @@ -2458,7 +2460,7 @@ def compute_magnetic_vector_potential( return self._compute_A_or_B(coords, params, basis, source_grid, transforms, "A") def to_FourierPlanar( - self, N=10, grid=None, basis="xyz", name="", check_intersection=False + self, N=10, grid=None, basis="xyz", name="", check_intersection=True ): """Convert all coils to FourierPlanarCoil representation. @@ -2487,7 +2489,12 @@ def to_FourierPlanar( minor radius r in a plane specified by a center position and normal vector. """ - coils = [coil.to_FourierPlanar(N=N, grid=grid, basis=basis) for coil in self] + coils = [ + coil.to_FourierPlanar( + N=N, grid=grid, basis=basis, check_intersection=check_intersection + ) + for coil in self + ] return self.__class__(*coils, name=name, check_intersection=check_intersection) def to_FourierRZ( @@ -2520,7 +2527,12 @@ def to_FourierRZ( New representation of the coilset parameterized by a Fourier series for R,Z. """ - coils = [coil.to_FourierRZ(N=N, grid=grid, NFP=NFP, sym=sym) for coil in self] + coils = [ + coil.to_FourierRZ( + N=N, grid=grid, NFP=NFP, sym=sym, check_intersection=check_intersection + ) + for coil in self + ] return self.__class__(*coils, name=name, check_intersection=check_intersection) def to_FourierXYZ(self, N=10, grid=None, s=None, name="", check_intersection=True): @@ -2548,7 +2560,10 @@ def to_FourierXYZ(self, N=10, grid=None, s=None, name="", check_intersection=Tru X,Y,Z. """ - coils = [coil.to_FourierXYZ(N, grid, s) for coil in self] + coils = [ + coil.to_FourierXYZ(N, grid, s, check_intersection=check_intersection) + for coil in self + ] return self.__class__(*coils, name=name, check_intersection=check_intersection) def to_SplineXYZ( @@ -2586,7 +2601,12 @@ def to_SplineXYZ( New representation of the coilset parameterized by a spline for X,Y,Z. """ - coils = [coil.to_SplineXYZ(knots, grid, method) for coil in self] + coils = [ + coil.to_SplineXYZ( + knots, grid, method, check_intersection=check_intersection + ) + for coil in self + ] return self.__class__(*coils, name=name, check_intersection=check_intersection) def __add__(self, other): @@ -2610,7 +2630,7 @@ def insert(self, i, new_item): @classmethod def from_makegrid_coilfile( # noqa: C901 - FIXME: simplify this - cls, coil_file, method="cubic", ignore_groups=False + cls, coil_file, method="cubic", ignore_groups=False, check_intersection=True ): """Create a MixedCoilSet of SplineXYZCoils from a MAKEGRID coil txtfile. @@ -2645,6 +2665,9 @@ def from_makegrid_coilfile( # noqa: C901 - FIXME: simplify this single coilgroup. If there is only a single group, however, this will not return a nested coilset, but just a single coilset for that group. if True, return the coils as just a single MixedCoilSet. + check_intersection : bool + whether to check the resulting coilsets for intersecting coils. + """ coils = {} # dict of list of SplineXYZCoils, one list per coilgroup @@ -2741,18 +2764,34 @@ def flatten_coils(coilset): # nested coilset groupinds = list(coils.keys()) if len(groupinds) == 1: - return cls(*coils[groupinds[0]], name=groupnames[0]) + return cls( + *coils[groupinds[0]], + name=groupnames[0], + check_intersection=check_intersection, + ) # if not, possibly return a nested coilset, containing one coilset per coilgroup coilsets = [] # list of coilsets, so we can attempt to use CoilSet for each one for groupname, groupind in zip(groupnames, groupinds): try: # try making the coilgroup use a CoilSet - coilsets.append(CoilSet(*coils[groupind], name=groupname)) + coilsets.append( + CoilSet( + *coils[groupind], + name=groupname, + check_intersection=check_intersection, + ) + ) except ValueError: # can't load as a CoilSet if any of the coils have # different length of knots, so load as MixedCoilSet instead - coilsets.append(cls(*coils[groupind], name=groupname)) - cset = cls(*coilsets) + coilsets.append( + cls( + *coils[groupind], + name=groupname, + check_intersection=check_intersection, + ) + ) + cset = cls(*coilsets, check_intersection=check_intersection) if ignore_groups: - cset = cls(*flatten_coils(cset)) + cset = cls(*flatten_coils(cset), check_intersection=check_intersection) return cset From b64da963d44db7e95962cb2f5ead5c4822e773e0 Mon Sep 17 00:00:00 2001 From: lisa <97008179+lisamessier@users.noreply.github.com> Date: Fri, 27 Sep 2024 11:50:40 -0400 Subject: [PATCH 10/29] Handle negative arguments in most_rational (#1269) Reorder logic in `grid.most_rational` to handle negative arguments. --------- Co-authored-by: Rahul Gaur <19224702+rahulgaur104@users.noreply.github.com> Co-authored-by: Rahul --- desc/grid.py | 20 +++++++++++--------- tests/test_grid.py | 28 ++++++++++++++++++++++++++++ 2 files changed, 39 insertions(+), 9 deletions(-) diff --git a/desc/grid.py b/desc/grid.py index 9546dd733..c4b8a46e7 100644 --- a/desc/grid.py +++ b/desc/grid.py @@ -1648,25 +1648,27 @@ def most_rational(a, b, itol=1e-14): """ a = float(_round(a, itol)) b = float(_round(b, itol)) - # handle empty range + + # Handle empty range if a == b: return a - # ensure a < b - elif a > b: - c = a - a = b - b = c - # return 0 if in range + + # Return 0 if in range if np.sign(a * b) <= 0: return 0 - # handle negative ranges - elif np.sign(a) < 0: + + # Handle negative ranges + if np.sign(a) < 0: s = -1 a *= -1 b *= -1 else: s = 1 + # Ensure a < b + if a > b: + a, b = b, a + a_cf = dec_to_cf(a) b_cf = dec_to_cf(b) idx = 0 # first index of dissimilar digits diff --git a/tests/test_grid.py b/tests/test_grid.py index 929a1bbe5..b70e36d67 100644 --- a/tests/test_grid.py +++ b/tests/test_grid.py @@ -14,6 +14,7 @@ dec_to_cf, find_least_rational_surfaces, find_most_rational_surfaces, + most_rational, ) from desc.profiles import PowerSeriesProfile @@ -823,6 +824,33 @@ def test_find_most_rational_surfaces(): np.testing.assert_allclose(rho, np.linspace(0, 1, 5), atol=1e-14, rtol=0) np.testing.assert_allclose(io, np.linspace(1, 3, 5), atol=1e-14, rtol=0) + # simple test, linear iota going from -1 to -3 + iota = PowerSeriesProfile([-1, -2]) + rho, io = find_most_rational_surfaces(iota, 5) + np.testing.assert_allclose(rho, np.linspace(0, 1, 5), atol=1e-14, rtol=0) + np.testing.assert_allclose(io, np.linspace(-1, -3, 5), atol=1e-14, rtol=0) + + # invalid (a > b) ranges and negative ranges are swapped and made positive + all_same = [ + most_rational(1, 2), + most_rational(2, 1), + most_rational(-1, -2), + most_rational(-2, -1), + ] + + assert len(set(map(abs, all_same))) == 1 + + # if 0 in range, return 0 + has_zero = [ + most_rational(0, 1), + most_rational(0, -1), + most_rational(0, 0), + most_rational(-1, 0), + most_rational(1, 0), + ] + + assert all(result == 0 for result in has_zero) + @pytest.mark.unit def test_find_least_rational_surfaces(): From 1c134525c145fe7ede5b3995d15cc7628acd5ef6 Mon Sep 17 00:00:00 2001 From: Rory Conlin Date: Fri, 27 Sep 2024 18:41:14 -0400 Subject: [PATCH 11/29] Add jacfwd_chunked and jacrev_chunked --- desc/batching.py | 406 +++++++++++++++++++++++++++++++++++++- desc/derivatives.py | 14 +- tests/test_derivatives.py | 12 +- 3 files changed, 423 insertions(+), 9 deletions(-) diff --git a/desc/batching.py b/desc/batching.py index 7b2a18f7b..c215ad55d 100644 --- a/desc/batching.py +++ b/desc/batching.py @@ -1,7 +1,30 @@ """Utility functions for the ``batched_vectorize`` function.""" import functools -from typing import Callable, Optional +from functools import partial +from typing import Any, Callable, Optional, Sequence + +import numpy as np +from jax._src import core, dispatch, dtypes +from jax._src.api_util import ( + _ensure_index, + argnums_partial, + check_callable, + flatten_fun_nokwargs, + flatten_fun_nokwargs2, + shaped_abstractify, +) +from jax._src.interpreters import ad +from jax._src.lax import lax as lax_internal +from jax._src.tree_util import ( + Partial, + tree_flatten, + tree_map, + tree_structure, + tree_transpose, + tree_unflatten, +) +from jax._src.util import safe_map, wraps from desc.backend import jax, jnp @@ -17,6 +40,8 @@ _parse_input_dimensions, ) +_dtype = partial(dtypes.dtype, canonicalize=True) + # The following section of this code is derived from the NetKet project # https://github.com/netket/netket/blob/9881c9fb217a2ac4dc9274a054bf6e6a2993c519/ # netket/jax/_chunk_utils.py @@ -320,3 +345,382 @@ def wrapped(*args, **kwargs): return jnp.expand_dims(result, axis=dims_to_expand) return wrapped + + +# The following section of this code is derived from JAX +# https://github.com/jax-ml/jax/blob/ff0a98a2aef958df156ca149809cf532efbbcaf4/ +# jax/_src/api.py +# +# The original copyright notice is as follows +# Copyright 2018 The JAX Authors. +# Licensed under the Apache License, Version 2.0 (the "License"); + + +def jacfwd_chunked( + fun: Callable, + argnums: int | Sequence[int] = 0, + has_aux: bool = False, + *, + chunk_size=None, +) -> Callable: + """Jacobian of ``fun`` evaluated column-by-column using forward-mode AD. + + Parameters + ---------- + fun: callable + Function whose Jacobian is to be computed. + argnums: Optional, integer or sequence of integers. + Specifies which positional argument(s) to differentiate with respect to + (default ``0``). + has_aux: Optional, bool. + Indicates whether ``fun`` returns a pair where the first element is considered + the output of the mathematical function to be differentiated and the second + element is auxiliary data. Default False. + chunk_size: int + The size of the batches to pass to vmap. If None, defaults to the largest + possible chunk_size. + + Returns + ------- + jac: callable + A function with the same arguments as ``fun``, that evaluates the Jacobian of + ``fun`` using forward-mode automatic differentiation. If ``has_aux`` is True + then a pair of (jacobian, auxiliary_data) is returned. + + """ + check_callable(fun) + argnums = _ensure_index(argnums) + + docstr = ( + "Jacobian of {fun} with respect to positional argument(s) " + "{argnums}. Takes the same arguments as {fun} but returns the " + "jacobian of the output with respect to the arguments at " + "positions {argnums}." + ) + + @wraps(fun, docstr=docstr, argnums=argnums) + def jacfun(*args, **kwargs): + f = lu.wrap_init(fun, kwargs) + f_partial, dyn_args = argnums_partial( + f, argnums, args, require_static_args_hashable=False + ) + tree_map(_check_input_dtype_jacfwd, dyn_args) + if not has_aux: + pushfwd: Callable = partial(_jvp, f_partial, dyn_args) + y, jac = vmap_chunked(pushfwd, chunk_size=chunk_size)(_std_basis(dyn_args)) + y = tree_map(lambda x: x[0], y) + jac = tree_map(lambda x: jnp.moveaxis(x, 0, -1), jac) + else: + pushfwd: Callable = partial(_jvp, f_partial, dyn_args, has_aux=True) + y, jac, aux = vmap_chunked(pushfwd, chunk_size=chunk_size)( + _std_basis(dyn_args) + ) + y = tree_map(lambda x: x[0], y) + jac = tree_map(lambda x: jnp.moveaxis(x, 0, -1), jac) + aux = tree_map(lambda x: x[0], aux) + + example_args = dyn_args[0] if isinstance(argnums, int) else dyn_args + jac_tree = tree_map(partial(_jacfwd_unravel, example_args), y, jac) + if not has_aux: + return jac_tree + else: + return jac_tree, aux + + return jacfun + + +def jacrev_chunked( + fun: Callable, + argnums: int | Sequence[int] = 0, + has_aux: bool = False, + *, + chunk_size=None, +) -> Callable: + """Jacobian of ``fun`` evaluated row-by-row using reverse-mode AD. + + Parameters + ---------- + fun: callable + Function whose Jacobian is to be computed. + argnums: Optional, integer or sequence of integers. + Specifies which positional argument(s) to differentiate with respect to + (default ``0``). + has_aux: Optional, bool. + Indicates whether ``fun`` returns a pair where the first element is considered + the output of the mathematical function to be differentiated and the second + element is auxiliary data. Default False. + chunk_size: int + The size of the batches to pass to vmap. If None, defaults to the largest + possible chunk_size. + + Returns + ------- + jac: callable + A function with the same arguments as ``fun``, that evaluates the Jacobian of + ``fun`` using reverse-mode automatic differentiation. If ``has_aux`` is True + then a pair of (jacobian, auxiliary_data) is returned. + + """ + check_callable(fun) + + docstr = ( + "Jacobian of {fun} with respect to positional argument(s) " + "{argnums}. Takes the same arguments as {fun} but returns the " + "jacobian of the output with respect to the arguments at " + "positions {argnums}." + ) + + @wraps(fun, docstr=docstr, argnums=argnums) + def jacfun(*args, **kwargs): + f = lu.wrap_init(fun, kwargs) + f_partial, dyn_args = argnums_partial( + f, argnums, args, require_static_args_hashable=False + ) + tree_map(_check_input_dtype_jacrev, dyn_args) + if not has_aux: + y, pullback = _vjp(f_partial, *dyn_args) + else: + y, pullback, aux = _vjp(f_partial, *dyn_args, has_aux=True) + tree_map(_check_output_dtype_jacrev, y) + jac = vmap_chunked(pullback, chunk_size=chunk_size)(_std_basis(y)) + jac = jac[0] if isinstance(argnums, int) else jac + example_args = dyn_args[0] if isinstance(argnums, int) else dyn_args + jac_tree = tree_map(partial(_jacrev_unravel, y), example_args, jac) + jac_tree = tree_transpose( + tree_structure(example_args), tree_structure(y), jac_tree + ) + if not has_aux: + return jac_tree + else: + return jac_tree, aux + + return jacfun + + +def _check_input_dtype_jacrev(x): + dispatch.check_arg(x) + aval = core.get_aval(x) + if ( + dtypes.issubdtype(aval.dtype, dtypes.extended) + or dtypes.issubdtype(aval.dtype, np.integer) + or dtypes.issubdtype(aval.dtype, np.bool_) + ): + raise TypeError( + f"jacrev_chunked requires real- or complex-valued inputs (input dtype " + f"that is a sub-dtype of np.inexact), but got {aval.dtype.name}. " + "If you want to use Boolean- or integer-valued inputs, use vjp " + "or set allow_int to True." + ) + elif not dtypes.issubdtype(aval.dtype, np.inexact): + raise TypeError( + f"jacrev_chunked requires numerical-valued inputs (input dtype that is a " + f"sub-dtype of np.bool_ or np.number), but got {aval.dtype.name}." + ) + + +def _check_output_dtype_jacrev(x): + aval = core.get_aval(x) + if dtypes.issubdtype(aval.dtype, dtypes.extended): + raise TypeError(f"jacrev_chunked with output element type {aval.dtype.name}") + elif dtypes.issubdtype(aval.dtype, np.complexfloating): + raise TypeError( + f"jacrev_chunked requires real-valued outputs (output dtype that is " + f"a sub-dtype of np.floating), but got {aval.dtype.name}. " + "For holomorphic differentiation, pass holomorphic=True. " + "For differentiation of non-holomorphic functions involving complex " + "outputs, use jax.vjp directly." + ) + elif not dtypes.issubdtype(aval.dtype, np.floating): + raise TypeError( + f"jacrev_chunked requires real-valued outputs (output dtype that is " + f"a sub-dtype of np.floating), but got {aval.dtype.name}. " + "For differentiation of functions with integer outputs, use " + "jax.vjp directly." + ) + + +def _check_input_dtype_jacfwd(x: Any) -> None: + dispatch.check_arg(x) + aval = core.get_aval(x) + if dtypes.issubdtype(aval.dtype, dtypes.extended): + raise TypeError(f"jacfwd with input element type {aval.dtype.name}") + elif not dtypes.issubdtype(aval.dtype, np.floating): + raise TypeError( + "jacfwd requires real-valued inputs (input dtype that is " + f"a sub-dtype of np.floating), but got {aval.dtype.name}. " + "For holomorphic differentiation, pass holomorphic=True. " + "For differentiation of non-holomorphic functions involving " + "complex inputs or integer inputs, use jax.jvp directly." + ) + + +def _jacfwd_unravel(input_pytree, output_pytree_leaf, arr): + return _unravel_array_into_pytree(input_pytree, -1, output_pytree_leaf, arr) + + +def _jacrev_unravel(output_pytree, input_pytree_leaf, arr): + return _unravel_array_into_pytree(output_pytree, 0, input_pytree_leaf, arr) + + +def _possible_downcast(x, example): + if dtypes.issubdtype(x.dtype, np.complexfloating) and not dtypes.issubdtype( + _dtype(example), np.complexfloating + ): + x = x.real + dtype = None if example is None else _dtype(example) + weak_type = None if example is None else dtypes.is_weakly_typed(example) + return lax_internal._convert_element_type(x, dtype, weak_type) + + +def _std_basis(pytree): + leaves, _ = tree_flatten(pytree) + ndim = sum(safe_map(np.size, leaves)) + dtype = dtypes.result_type(*leaves) + flat_basis = jnp.eye(ndim, dtype=dtype) + return _unravel_array_into_pytree(pytree, 1, None, flat_basis) + + +def _unravel_array_into_pytree(pytree, axis, example, arr): + """Unravel an array into a PyTree with a given structure. + + Parameters + ---------- + pytree: The pytree that provides the structure. + axis: The parameter axis is either -1, 0, or 1. It controls the + resulting shapes. + example: If specified, cast the components to the matching dtype/weak_type, + or else use the pytree leaf type if example is None. + arr: The array to be unraveled. + """ + leaves, treedef = tree_flatten(pytree) + axis = axis % arr.ndim + shapes = [arr.shape[:axis] + np.shape(l) + arr.shape[axis + 1 :] for l in leaves] + parts = _split(arr, np.cumsum(safe_map(np.size, leaves[:-1])), axis) + reshaped_parts = [ + _possible_downcast(np.reshape(x, shape), leaf if example is None else example) + for x, shape, leaf in zip(parts, shapes, leaves) + ] + return tree_unflatten(treedef, reshaped_parts) + + +def _split(x, indices, axis): + if isinstance(x, np.ndarray): + return np.split(x, indices, axis) + else: + return x._split(indices, axis) + + +def _jvp(fun: lu.WrappedFun, primals, tangents, has_aux=False): + """Variant of jvp() that takes an lu.WrappedFun.""" + if not isinstance(primals, (tuple, list)) or not isinstance( + tangents, (tuple, list) + ): + raise TypeError( + "primal and tangent arguments to jax.jvp must be tuples or lists; " + f"found {type(primals).__name__} and {type(tangents).__name__}." + ) + + ps_flat, tree_def = tree_flatten(primals) + ts_flat, tree_def_2 = tree_flatten(tangents) + if tree_def != tree_def_2: + raise TypeError( + "primal and tangent arguments to jax.jvp must have the same tree " + f"structure; primals have tree structure {tree_def} whereas tangents have " + f"tree structure {tree_def_2}." + ) + for p, t in zip(ps_flat, ts_flat): + if core.primal_dtype_to_tangent_dtype(_dtype(p)) != _dtype(t): + raise TypeError( + "primal and tangent arguments to jax.jvp do not match; " + "dtypes must be equal, or in case of int/bool primal dtype " + "the tangent dtype must be float0." + f"Got primal dtype {_dtype(p)} and so expected tangent dtype " + f"{core.primal_dtype_to_tangent_dtype(_dtype(p))}, but got " + f"tangent dtype {_dtype(t)} instead." + ) + if np.shape(p) != np.shape(t): + raise ValueError( + "jvp called with different primal and tangent shapes;" + f"Got primal shape {np.shape(p)} and tangent shape as {np.shape(t)}" + ) + + if not has_aux: + flat_fun, out_tree = flatten_fun_nokwargs(fun, tree_def) + out_primals, out_tangents = ad.jvp(flat_fun).call_wrapped(ps_flat, ts_flat) + out_tree = out_tree() + return ( + tree_unflatten(out_tree, out_primals), + tree_unflatten(out_tree, out_tangents), + ) + else: + flat_fun, out_aux_trees = flatten_fun_nokwargs2(fun, tree_def) + jvp_fun, aux = ad.jvp(flat_fun, has_aux=True) + out_primals, out_tangents = jvp_fun.call_wrapped(ps_flat, ts_flat) + out_tree, aux_tree = out_aux_trees() + return ( + tree_unflatten(out_tree, out_primals), + tree_unflatten(out_tree, out_tangents), + tree_unflatten(aux_tree, aux()), + ) + + +def _vjp(fun: lu.WrappedFun, *primals, has_aux=False): + """Variant of vjp() that takes an lu.WrappedFun.""" + primals_flat, in_tree = tree_flatten(primals) + for arg in primals_flat: + dispatch.check_arg(arg) + if not has_aux: + flat_fun, out_tree = flatten_fun_nokwargs(fun, in_tree) + out_primals, vjp = ad.vjp(flat_fun, primals_flat) + out_tree = out_tree() + else: + flat_fun, out_aux_trees = flatten_fun_nokwargs2(fun, in_tree) + out_primals, vjp, aux = ad.vjp(flat_fun, primals_flat, has_aux=True) + out_tree, aux_tree = out_aux_trees() + out_primal_avals = map(shaped_abstractify, out_primals) + out_primal_py = tree_unflatten(out_tree, out_primals) + vjp_py = Partial( + partial( + _vjp_pullback_wrapper, fun.__name__, out_primal_avals, (out_tree, in_tree) + ), + vjp, + ) + if not has_aux: + return out_primal_py, vjp_py + else: + return out_primal_py, vjp_py, tree_unflatten(aux_tree, aux) + + +def _vjp_pullback_wrapper(name, out_primal_avals, io_tree, fun, *py_args_): + (py_args,) = py_args_ + in_tree_expected, out_tree = io_tree + args, in_tree = tree_flatten(py_args) + if in_tree != in_tree_expected: + raise ValueError( + f"unexpected tree structure of argument to vjp function: " + f"got {in_tree}, but expected to match {in_tree_expected}" + ) + for arg, aval in zip(args, out_primal_avals): + ct_aval = shaped_abstractify(arg) + try: + ct_aval_expected = aval.to_tangent_type() + except AttributeError: + # https://github.com/jax-ml/jax/commit/018189491bde26fe9c7ade1213c5cbbad8bca1c6 + ct_aval_expected = aval.at_least_vspace() + if not core.typecompat( + ct_aval, ct_aval_expected + ) and not _temporary_dtype_exception(ct_aval, ct_aval_expected): + raise ValueError( + "unexpected JAX type (e.g. shape/dtype) for argument to vjp function: " + f"got {ct_aval.str_short()}, but expected " + f"{ct_aval_expected.str_short()} because the corresponding output " + f"of the function {name} had JAX type {aval.str_short()}" + ) + ans = fun(*args) + return tree_unflatten(out_tree, ans) + + +def _temporary_dtype_exception(a, a_) -> bool: + if isinstance(a, core.ShapedArray) and isinstance(a_, core.ShapedArray): + return a.shape == a_.shape and a_.dtype == dtypes.float0 + return False diff --git a/desc/derivatives.py b/desc/derivatives.py index 684ea37d4..367dc1d63 100644 --- a/desc/derivatives.py +++ b/desc/derivatives.py @@ -10,6 +10,8 @@ if use_jax: import jax + from desc.batching import jacfwd_chunked, jacrev_chunked + class _Derivative(ABC): """_Derivative is an abstract base class for derivative matrix calculations. @@ -123,11 +125,11 @@ class AutoDiffDerivative(_Derivative): """ - def __init__(self, fun, argnum=0, mode="fwd", **kwargs): + def __init__(self, fun, argnum=0, mode="fwd", chunk_size=None, **kwargs): self._fun = fun self._argnum = argnum - + self._chunk_size = chunk_size self._set_mode(mode) def compute(self, *args, **kwargs): @@ -323,9 +325,13 @@ def _set_mode(self, mode) -> None: self._mode = mode if self._mode == "fwd": - self._compute = jax.jacfwd(self._fun, self._argnum) + self._compute = jacfwd_chunked( + self._fun, self._argnum, chunk_size=self._chunk_size + ) elif self._mode == "rev": - self._compute = jax.jacrev(self._fun, self._argnum) + self._compute = jacrev_chunked( + self._fun, self._argnum, chunk_size=self._chunk_size + ) elif self._mode == "grad": self._compute = jax.grad(self._fun, self._argnum) elif self._mode == "hess": diff --git a/tests/test_derivatives.py b/tests/test_derivatives.py index 29c2f909d..e5f50eee5 100644 --- a/tests/test_derivatives.py +++ b/tests/test_derivatives.py @@ -77,13 +77,17 @@ def test_fun(x, y, a): y = np.array([60, 1, 100, 0.02]) a = -2 - jac_AD = AutoDiffDerivative(test_fun, argnum=0) - J_AD = jac_AD.compute(x, y, a) + jacf_AD = AutoDiffDerivative(test_fun, argnum=0, mode="fwd") + Jf_AD = jacf_AD.compute(x, y, a) + jacr_AD = AutoDiffDerivative(test_fun, argnum=0, mode="rev") + Jr_AD = jacr_AD.compute(x, y, a) - jac_FD = AutoDiffDerivative(test_fun, argnum=0) + jac_FD = FiniteDiffDerivative(test_fun, argnum=0) J_FD = jac_FD.compute(x, y, a) - np.testing.assert_allclose(J_FD, J_AD, atol=1e-8) + np.testing.assert_allclose(Jf_AD, Jr_AD, atol=1e-8) + np.testing.assert_allclose(J_FD, Jf_AD, rtol=1e-2) + np.testing.assert_allclose(J_FD, Jr_AD, rtol=1e-2) @pytest.mark.unit def test_fd_hessian(self): From 1e0d099463e468e45fb7064793aa91a6f56b69ba Mon Sep 17 00:00:00 2001 From: Rory Conlin Date: Fri, 27 Sep 2024 18:42:05 -0400 Subject: [PATCH 12/29] Pass chunk size to _Objective jacobians --- desc/objectives/objective_funs.py | 27 ++++++++++++++++++--------- 1 file changed, 18 insertions(+), 9 deletions(-) diff --git a/desc/objectives/objective_funs.py b/desc/objectives/objective_funs.py index 9a540d0b5..47368b6e6 100644 --- a/desc/objectives/objective_funs.py +++ b/desc/objectives/objective_funs.py @@ -1167,25 +1167,34 @@ def hess(self, *args, **kwargs): def jac_scaled(self, *args, **kwargs): """Compute Jacobian matrix of self.compute_scaled wrt x.""" argnums = tuple(range(len(self.things))) - return Derivative(self.compute_scaled, argnums, mode=self._deriv_mode)( - *args, **kwargs - ) + return Derivative( + self.compute_scaled, + argnums, + mode=self._deriv_mode, + chunk_size=self._jac_chunk_size, + )(*args, **kwargs) @jit def jac_scaled_error(self, *args, **kwargs): """Compute Jacobian matrix of self.compute_scaled_error wrt x.""" argnums = tuple(range(len(self.things))) - return Derivative(self.compute_scaled_error, argnums, mode=self._deriv_mode)( - *args, **kwargs - ) + return Derivative( + self.compute_scaled_error, + argnums, + mode=self._deriv_mode, + chunk_size=self._jac_chunk_size, + )(*args, **kwargs) @jit def jac_unscaled(self, *args, **kwargs): """Compute Jacobian matrix of self.compute_unscaled wrt x.""" argnums = tuple(range(len(self.things))) - return Derivative(self.compute_unscaled, argnums, mode=self._deriv_mode)( - *args, **kwargs - ) + return Derivative( + self.compute_unscaled, + argnums, + mode=self._deriv_mode, + chunk_size=self._jac_chunk_size, + )(*args, **kwargs) def _jvp(self, v, x, constants=None, op="compute_scaled"): v = v if isinstance(v, (tuple, list)) else (v,) From 8c7805a1ac511787770bc29330212e68d929f6c7 Mon Sep 17 00:00:00 2001 From: Rory Conlin Date: Fri, 27 Sep 2024 18:42:59 -0400 Subject: [PATCH 13/29] Allow _Objective.jvp to work with reverse mode objectives --- desc/objectives/objective_funs.py | 31 +++++++++++++++++--------- tests/test_objective_funs.py | 37 +++++++++++++++++++++++++++++++ 2 files changed, 58 insertions(+), 10 deletions(-) diff --git a/desc/objectives/objective_funs.py b/desc/objectives/objective_funs.py index 47368b6e6..9b456f4fd 100644 --- a/desc/objectives/objective_funs.py +++ b/desc/objectives/objective_funs.py @@ -13,6 +13,7 @@ jit, jnp, tree_flatten, + tree_map, tree_unflatten, use_jax, ) @@ -1196,17 +1197,27 @@ def jac_unscaled(self, *args, **kwargs): chunk_size=self._jac_chunk_size, )(*args, **kwargs) - def _jvp(self, v, x, constants=None, op="compute_scaled"): + def _jvp(self, v, x, constants=None, op="scaled"): v = v if isinstance(v, (tuple, list)) else (v,) x = x if isinstance(x, (tuple, list)) else (x,) assert len(x) == len(v) - fun = lambda *x: getattr(self, op)(*x, constants=constants) - jvpfun = lambda *dx: Derivative.compute_jvp(fun, tuple(range(len(x))), dx, *x) - sig = ",".join(f"(n{i})" for i in range(len(x))) + "->(k)" - return batched_vectorize( - jvpfun, signature=sig, chunk_size=self._jac_chunk_size - )(*v) + if self._deriv_mode == "fwd": + fun = lambda *x: getattr(self, "compute_" + op)(*x, constants=constants) + jvpfun = lambda *dx: Derivative.compute_jvp( + fun, tuple(range(len(x))), dx, *x + ) + sig = ",".join(f"(n{i})" for i in range(len(x))) + "->(k)" + return batched_vectorize( + jvpfun, signature=sig, chunk_size=self._jac_chunk_size + )(*v) + else: # rev mode. We compute full jacobian and manually do mv. In this case + # the jacobian should be wide so this isn't very expensive. + jac = getattr(self, "jac_" + op)(*x, constants=constants) + # jac is a tuple, 1 array for each thing + Jv = tree_map(jnp.dot, jac, v) + # sum over different things + return jnp.sum(jnp.asarray(Jv), axis=0) @jit def jvp_scaled(self, v, x, constants=None): @@ -1222,7 +1233,7 @@ def jvp_scaled(self, v, x, constants=None): Constant parameters passed to sub-objectives. """ - return self._jvp(v, x, constants, "compute_scaled") + return self._jvp(v, x, constants, "scaled") @jit def jvp_scaled_error(self, v, x, constants=None): @@ -1238,7 +1249,7 @@ def jvp_scaled_error(self, v, x, constants=None): Constant parameters passed to sub-objectives. """ - return self._jvp(v, x, constants, "compute_scaled_error") + return self._jvp(v, x, constants, "scaled_error") @jit def jvp_unscaled(self, v, x, constants=None): @@ -1254,7 +1265,7 @@ def jvp_unscaled(self, v, x, constants=None): Constant parameters passed to sub-objectives. """ - return self._jvp(v, x, constants, "compute_unscaled") + return self._jvp(v, x, constants, "unscaled") def print_value(self, args, args0=None, **kwargs): """Print the value of the objective.""" diff --git a/tests/test_objective_funs.py b/tests/test_objective_funs.py index 68de417ea..f384b90aa 100644 --- a/tests/test_objective_funs.py +++ b/tests/test_objective_funs.py @@ -1365,6 +1365,43 @@ def test_derivative_modes(): np.testing.assert_allclose(H1, H3, atol=1e-10) +@pytest.mark.unit +def test_fwd_rev(): + """Test that forward and reverse mode jvps etc give same results.""" + eq = Equilibrium() + obj1 = MeanCurvature(eq, deriv_mode="fwd") + obj2 = MeanCurvature(eq, deriv_mode="rev") + obj1.build() + obj2.build() + + x = eq.pack_params(eq.params_dict) + J1 = obj1.jac_scaled(x) + J2 = obj2.jac_scaled(x) + np.testing.assert_allclose(J1, J2, atol=1e-14) + + jvp1 = obj1.jvp_scaled(x, jnp.ones_like(x)) + jvp2 = obj2.jvp_scaled(x, jnp.ones_like(x)) + np.testing.assert_allclose(jvp1, jvp2, atol=1e-14) + + surf = FourierRZToroidalSurface() + obj1 = PlasmaVesselDistance(eq, surf, deriv_mode="fwd") + obj2 = PlasmaVesselDistance(eq, surf, deriv_mode="rev") + obj1.build() + obj2.build() + + x1 = eq.pack_params(eq.params_dict) + x2 = surf.pack_params(surf.params_dict) + + J1a, J1b = obj1.jac_scaled(x1, x2) + J2a, J2b = obj2.jac_scaled(x1, x2) + np.testing.assert_allclose(J1a, J2a, atol=1e-14) + np.testing.assert_allclose(J1b, J2b, atol=1e-14) + + jvp1 = obj1.jvp_scaled((x1, x2), (jnp.ones_like(x1), jnp.ones_like(x2))) + jvp2 = obj2.jvp_scaled((x1, x2), (jnp.ones_like(x1), jnp.ones_like(x2))) + np.testing.assert_allclose(jvp1, jvp2, atol=1e-14) + + @pytest.mark.unit def test_getter_setter(): """Test getter and setter methods of Objectives.""" From cec34d77193985689a55229345f0692a2c09f2ab Mon Sep 17 00:00:00 2001 From: Rory Conlin Date: Fri, 27 Sep 2024 21:37:18 -0400 Subject: [PATCH 14/29] Use blocked logic for ObjectiveFunction.jvp --- desc/derivatives.py | 25 ++--- desc/objectives/objective_funs.py | 134 ++++++++++++-------------- desc/optimize/_constraint_wrappers.py | 6 -- desc/utils.py | 9 ++ tests/test_objective_funs.py | 6 ++ 5 files changed, 90 insertions(+), 90 deletions(-) diff --git a/desc/derivatives.py b/desc/derivatives.py index 367dc1d63..d851bf7b5 100644 --- a/desc/derivatives.py +++ b/desc/derivatives.py @@ -6,6 +6,7 @@ from termcolor import colored from desc.backend import jnp, put, use_jax +from desc.utils import ensure_tuple if use_jax: import jax @@ -207,7 +208,7 @@ def compute_jvp(cls, fun, argnum, v, *args, **kwargs): """ _ = kwargs.pop("rel_step", None) # unused by autodiff argnum = (argnum,) if jnp.isscalar(argnum) else tuple(argnum) - v = (v,) if not isinstance(v, (tuple, list)) else v + v = ensure_tuple(v) def _fun(*x): _args = list(args) @@ -243,14 +244,14 @@ def compute_jvp2(cls, fun, argnum1, argnum2, v1, v2, *args, **kwargs): """ if np.isscalar(argnum1): - v1 = (v1,) if not isinstance(v1, (tuple, list)) else v1 + v1 = ensure_tuple(v1) argnum1 = (argnum1,) else: v1 = tuple(v1) if np.isscalar(argnum2): argnum2 = (argnum2 + 1,) - v2 = (v2,) if not isinstance(v2, (tuple, list)) else v2 + v2 = ensure_tuple(v2) else: argnum2 = tuple([i + 1 for i in argnum2]) v2 = tuple(v2) @@ -286,21 +287,21 @@ def compute_jvp3(cls, fun, argnum1, argnum2, argnum3, v1, v2, v3, *args, **kwarg """ if np.isscalar(argnum1): - v1 = (v1,) if not isinstance(v1, (tuple, list)) else v1 + v1 = ensure_tuple(v1) argnum1 = (argnum1,) else: v1 = tuple(v1) if np.isscalar(argnum2): argnum2 = (argnum2 + 1,) - v2 = (v2,) if not isinstance(v2, (tuple, list)) else v2 + v2 = ensure_tuple(v2) else: argnum2 = tuple([i + 1 for i in argnum2]) v2 = tuple(v2) if np.isscalar(argnum3): argnum3 = (argnum3 + 2,) - v3 = (v3,) if not isinstance(v3, (tuple, list)) else v3 + v3 = ensure_tuple(v3) else: argnum3 = tuple([i + 2 for i in argnum3]) v3 = tuple(v3) @@ -518,7 +519,7 @@ def compute_jvp(cls, fun, argnum, v, *args, **kwargs): argnum = (argnum,) else: nargs = len(argnum) - v = (v,) if not isinstance(v, tuple) else v + v = ensure_tuple(v) f = np.array( [ @@ -555,14 +556,14 @@ def compute_jvp2(cls, fun, argnum1, argnum2, v1, v2, *args, **kwargs): """ if np.isscalar(argnum1): - v1 = (v1,) if not isinstance(v1, tuple) else v1 + v1 = ensure_tuple(v1) argnum1 = (argnum1,) else: v1 = tuple(v1) if np.isscalar(argnum2): argnum2 = (argnum2 + 1,) - v2 = (v2,) if not isinstance(v2, tuple) else v2 + v2 = ensure_tuple(v2) else: argnum2 = tuple([i + 1 for i in argnum2]) v2 = tuple(v2) @@ -598,21 +599,21 @@ def compute_jvp3(cls, fun, argnum1, argnum2, argnum3, v1, v2, v3, *args, **kwarg """ if np.isscalar(argnum1): - v1 = (v1,) if not isinstance(v1, tuple) else v1 + v1 = ensure_tuple(v1) argnum1 = (argnum1,) else: v1 = tuple(v1) if np.isscalar(argnum2): argnum2 = (argnum2 + 1,) - v2 = (v2,) if not isinstance(v2, tuple) else v2 + v2 = ensure_tuple(v2) else: argnum2 = tuple([i + 1 for i in argnum2]) v2 = tuple(v2) if np.isscalar(argnum3): argnum3 = (argnum3 + 2,) - v3 = (v3,) if not isinstance(v3, tuple) else v3 + v3 = ensure_tuple(v3) else: argnum3 = tuple([i + 2 for i in argnum3]) v3 = tuple(v3) diff --git a/desc/objectives/objective_funs.py b/desc/objectives/objective_funs.py index 9b456f4fd..fd08d1884 100644 --- a/desc/objectives/objective_funs.py +++ b/desc/objectives/objective_funs.py @@ -24,6 +24,7 @@ from desc.utils import ( PRINT_WIDTH, Timer, + ensure_tuple, errorif, flatten_list, is_broadcastable, @@ -501,15 +502,36 @@ def hess(self, x, constants=None): Derivative(self.compute_scalar, mode="hess")(x, constants).squeeze() ) - def _jac_blocked(self, op, x, constants=None): - # could also do something similar for grad and hess, but probably not - # worth it. grad is already super cheap to eval all at once, and blocked - # hess would only be block diag which may miss important interactions. + @jit + def jac_scaled(self, x, constants=None): + """Compute Jacobian matrix of self.compute_scaled wrt x.""" + v = jnp.eye(x.shape[0]) + return self.jvp_scaled(v, x, constants).T + + @jit + def jac_scaled_error(self, x, constants=None): + """Compute Jacobian matrix of self.compute_scaled_error wrt x.""" + v = jnp.eye(x.shape[0]) + return self.jvp_scaled_error(v, x, constants).T + + @jit + def jac_unscaled(self, x, constants=None): + """Compute Jacobian matrix of self.compute_unscaled wrt x.""" + v = jnp.eye(x.shape[0]) + return self.jvp_unscaled(v, x, constants).T + + def _jvp_blocked(self, v, x, constants=None, op="scaled"): + v = ensure_tuple(v) + if len(v) > 1: + # using blocked for higher order derivatives is a pain, and only really + # is needed for perturbations. Just pass that to jvp_batched for now + return self._jvp_batched(v, x, constants, op) if constants is None: constants = self.constants xs_splits = np.cumsum([t.dim_x for t in self.things]) xs = jnp.split(x, xs_splits) + vs = jnp.split(v[0], xs_splits, axis=-1) J = [] assert len(self.objectives) == len(self.constants) # basic idea is we compute the jacobian of each objective wrt each thing @@ -519,63 +541,18 @@ def _jac_blocked(self, op, x, constants=None): # get the xs that go to that objective thing_idx = self._things_per_objective_idx[k] xi = [xs[i] for i in thing_idx] - Ji_ = getattr(obj, op)(*xi, constants=const) # jac wrt to just those things - Ji = [] # jac wrt all things - for i, thing in enumerate(self.things): - if i in thing_idx: # dfi/dxj != 0 - Ji += [Ji_[thing_idx.index(i)]] - else: # dfi/dxj == 0 - Ji += [jnp.zeros((obj.dim_f, thing.dim_x))] - Ji = jnp.hstack(Ji) # something like [df1/dx1, df1/dx2, 0] - J += [Ji] - # something like [df1/dx1, df1/dx2, 0] - # [df2/dx1, 0, df2/dx3] # noqa:E800 - J = jnp.vstack(J) + vi = [vs[i] for i in thing_idx] + Ji_ = getattr(obj, "jvp_" + op)(vi, xi, constants=const) + J += [Ji_] + # this is the transpose of the jvp when v is a matrix, for consistency with + # jvp_batched + J = jnp.hstack(J) return J - @jit - def jac_scaled(self, x, constants=None): - """Compute Jacobian matrix of self.compute_scaled wrt x.""" - if constants is None: - constants = self.constants - - if self._deriv_mode == "batched": - J = Derivative(self.compute_scaled, mode="fwd")(x, constants) - if self._deriv_mode == "blocked": - J = self._jac_blocked("jac_scaled", x, constants) + def _jvp_batched(self, v, x, constants=None, op="scaled"): + v = ensure_tuple(v) - return jnp.atleast_2d(J.squeeze()) - - @jit - def jac_scaled_error(self, x, constants=None): - """Compute Jacobian matrix of self.compute_scaled_error wrt x.""" - if constants is None: - constants = self.constants - - if self._deriv_mode == "batched": - J = Derivative(self.compute_scaled_error, mode="fwd")(x, constants) - if self._deriv_mode == "blocked": - J = self._jac_blocked("jac_scaled_error", x, constants) - - return jnp.atleast_2d(J.squeeze()) - - @jit - def jac_unscaled(self, x, constants=None): - """Compute Jacobian matrix of self.compute_unscaled wrt x.""" - if constants is None: - constants = self.constants - - if self._deriv_mode == "batched": - J = Derivative(self.compute_unscaled, mode="fwd")(x, constants) - if self._deriv_mode == "blocked": - J = self._jac_blocked("jac_unscaled", x, constants) - - return jnp.atleast_2d(J.squeeze()) - - def _jvp(self, v, x, constants=None, op="compute_scaled"): - v = v if isinstance(v, (tuple, list)) else (v,) - - fun = lambda x: getattr(self, op)(x, constants) + fun = lambda x: getattr(self, "compute_" + op)(x, constants) if len(v) == 1: jvpfun = lambda dx: Derivative.compute_jvp(fun, 0, dx, x) return batched_vectorize( @@ -613,7 +590,11 @@ def jvp_scaled(self, v, x, constants=None): Constant parameters passed to sub-objectives. """ - return self._jvp(v, x, constants, "compute_scaled") + if self._deriv_mode == "batched": + J = self._jvp_batched(v, x, constants, "scaled") + if self._deriv_mode == "blocked": + J = self._jvp_blocked(v, x, constants, "scaled") + return J @jit def jvp_scaled_error(self, v, x, constants=None): @@ -630,7 +611,11 @@ def jvp_scaled_error(self, v, x, constants=None): Constant parameters passed to sub-objectives. """ - return self._jvp(v, x, constants, "compute_scaled_error") + if self._deriv_mode == "batched": + J = self._jvp_batched(v, x, constants, "scaled_error") + if self._deriv_mode == "blocked": + J = self._jvp_blocked(v, x, constants, "scaled_error") + return J @jit def jvp_unscaled(self, v, x, constants=None): @@ -647,10 +632,14 @@ def jvp_unscaled(self, v, x, constants=None): Constant parameters passed to sub-objectives. """ - return self._jvp(v, x, constants, "compute_unscaled") + if self._deriv_mode == "batched": + J = self._jvp_batched(v, x, constants, "unscaled") + if self._deriv_mode == "blocked": + J = self._jvp_blocked(v, x, constants, "unscaled") + return J - def _vjp(self, v, x, constants=None, op="compute_scaled"): - fun = lambda x: getattr(self, op)(x, constants) + def _vjp(self, v, x, constants=None, op="scaled"): + fun = lambda x: getattr(self, "compute_" + op)(x, constants) return Derivative.compute_vjp(fun, 0, v, x) @jit @@ -667,7 +656,7 @@ def vjp_scaled(self, v, x, constants=None): Constant parameters passed to sub-objectives. """ - return self._vjp(v, x, constants, "compute_scaled") + return self._vjp(v, x, constants, "scaled") @jit def vjp_scaled_error(self, v, x, constants=None): @@ -683,7 +672,7 @@ def vjp_scaled_error(self, v, x, constants=None): Constant parameters passed to sub-objectives. """ - return self._vjp(v, x, constants, "compute_scaled_error") + return self._vjp(v, x, constants, "scaled_error") @jit def vjp_unscaled(self, v, x, constants=None): @@ -699,7 +688,7 @@ def vjp_unscaled(self, v, x, constants=None): Constant parameters passed to sub-objectives. """ - return self._vjp(v, x, constants, "compute_unscaled") + return self._vjp(v, x, constants, "unscaled") def compile(self, mode="auto", verbose=1): """Call the necessary functions to ensure the function is compiled. @@ -1198,8 +1187,8 @@ def jac_unscaled(self, *args, **kwargs): )(*args, **kwargs) def _jvp(self, v, x, constants=None, op="scaled"): - v = v if isinstance(v, (tuple, list)) else (v,) - x = x if isinstance(x, (tuple, list)) else (x,) + v = ensure_tuple(v) + x = ensure_tuple(x) assert len(x) == len(v) if self._deriv_mode == "fwd": @@ -1214,10 +1203,11 @@ def _jvp(self, v, x, constants=None, op="scaled"): else: # rev mode. We compute full jacobian and manually do mv. In this case # the jacobian should be wide so this isn't very expensive. jac = getattr(self, "jac_" + op)(*x, constants=constants) - # jac is a tuple, 1 array for each thing - Jv = tree_map(jnp.dot, jac, v) - # sum over different things - return jnp.sum(jnp.asarray(Jv), axis=0) + # jac is a tuple, 1 array for each thing. Transposes here and below make it + # equivalent to fwd mode above, which batches over the first axis + Jv = tree_map(lambda a, b: jnp.dot(a, b.T), jac, v) + # sum over different things. + return jnp.sum(jnp.asarray(Jv), axis=0).T @jit def jvp_scaled(self, v, x, constants=None): diff --git a/desc/optimize/_constraint_wrappers.py b/desc/optimize/_constraint_wrappers.py index 604609fc8..bbc5daf4e 100644 --- a/desc/optimize/_constraint_wrappers.py +++ b/desc/optimize/_constraint_wrappers.py @@ -289,12 +289,6 @@ def hess(self, x_reduced, constants=None): def _jac(self, x_reduced, constants=None, op="scaled"): x = self.recover(x_reduced) - if self._objective._deriv_mode == "blocked": - fun = getattr(self._objective, "jac_" + op) - return fun(x, constants)[:, self._unfixed_idx] @ ( - self._Z * self._D[self._unfixed_idx, None] - ) - v = self._unfixed_idx_mat df = getattr(self._objective, "jvp_" + op)(v.T, x, constants) return df.T diff --git a/desc/utils.py b/desc/utils.py index 203e29d3d..50c1db1b5 100644 --- a/desc/utils.py +++ b/desc/utils.py @@ -929,3 +929,12 @@ def tupleset(t, i, value): ) return res + + +def ensure_tuple(x): + """Returns x as a tuple of arrays.""" + if isinstance(x, tuple): + return x + if isinstance(x, list): + return tuple(x) + return (x,) diff --git a/tests/test_objective_funs.py b/tests/test_objective_funs.py index f384b90aa..cfbf09090 100644 --- a/tests/test_objective_funs.py +++ b/tests/test_objective_funs.py @@ -1343,6 +1343,7 @@ def test_derivative_modes(): assert obj1._jac_chunk_size > 0 obj3.build() x = obj1.x(eq, surf) + v = jnp.ones_like(x) g1 = obj1.grad(x) g2 = obj2.grad(x) g3 = obj3.grad(x) @@ -1363,6 +1364,11 @@ def test_derivative_modes(): H3 = obj3.hess(x) np.testing.assert_allclose(H1, H2, atol=1e-10) np.testing.assert_allclose(H1, H3, atol=1e-10) + j1 = obj1.jvp_scaled(v, x) + j2 = obj2.jvp_scaled(v, x) + j3 = obj3.jvp_scaled(v, x) + np.testing.assert_allclose(j1, j2, atol=1e-10) + np.testing.assert_allclose(j1, j3, atol=1e-10) @pytest.mark.unit From 0fae08210255b4afa4ef42e70c18b7059c56b2ed Mon Sep 17 00:00:00 2001 From: Rory Conlin Date: Fri, 27 Sep 2024 21:43:41 -0400 Subject: [PATCH 15/29] Adjust heuristic for choosing fwd over reverse mode AD --- desc/objectives/objective_funs.py | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/desc/objectives/objective_funs.py b/desc/objectives/objective_funs.py index fd08d1884..9cdfb61c2 100644 --- a/desc/objectives/objective_funs.py +++ b/desc/objectives/objective_funs.py @@ -968,11 +968,13 @@ def __init__( def _set_derivatives(self): """Choose derivative mode based on size of inputs/outputs.""" if self._deriv_mode == "auto": - # choose based on shape of jacobian. fwd mode is more memory efficient - # so we prefer that unless the jacobian is really wide + # choose based on shape of jacobian. dim_x is usually an overestimate of + # the true number of DOFs because linear constraints remove some. Also + # fwd mode is more memory efficient so we prefer that unless the jacobian + # is really wide self._deriv_mode = ( "fwd" - if self.dim_f >= 0.5 * sum(t.dim_x for t in self.things) + if self.dim_f >= 0.2 * sum(t.dim_x for t in self.things) else "rev" ) From 9bc9aafee691a5855169f50a44df3024f78d5d68 Mon Sep 17 00:00:00 2001 From: Rory Conlin Date: Fri, 27 Sep 2024 22:57:27 -0400 Subject: [PATCH 16/29] Remove some extra unneeded stuff in favor of importing from jax, remove type hints incompatible with python 3.9 --- desc/batching.py | 303 ++++++----------------------------------------- 1 file changed, 38 insertions(+), 265 deletions(-) diff --git a/desc/batching.py b/desc/batching.py index c215ad55d..129ef7ec3 100644 --- a/desc/batching.py +++ b/desc/batching.py @@ -2,29 +2,22 @@ import functools from functools import partial -from typing import Any, Callable, Optional, Sequence - -import numpy as np -from jax._src import core, dispatch, dtypes -from jax._src.api_util import ( - _ensure_index, - argnums_partial, - check_callable, - flatten_fun_nokwargs, - flatten_fun_nokwargs2, - shaped_abstractify, +from typing import Callable, Optional + +from jax._src.api import ( + _check_input_dtype_jacfwd, + _check_input_dtype_jacrev, + _check_output_dtype_jacfwd, + _check_output_dtype_jacrev, + _jacfwd_unravel, + _jacrev_unravel, + _jvp, + _std_basis, + _vjp, ) -from jax._src.interpreters import ad -from jax._src.lax import lax as lax_internal -from jax._src.tree_util import ( - Partial, - tree_flatten, - tree_map, - tree_structure, - tree_transpose, - tree_unflatten, -) -from jax._src.util import safe_map, wraps +from jax._src.api_util import _ensure_index, argnums_partial, check_callable +from jax._src.tree_util import tree_map, tree_structure, tree_transpose +from jax._src.util import wraps from desc.backend import jax, jnp @@ -40,8 +33,6 @@ _parse_input_dimensions, ) -_dtype = partial(dtypes.dtype, canonicalize=True) - # The following section of this code is derived from the NetKet project # https://github.com/netket/netket/blob/9881c9fb217a2ac4dc9274a054bf6e6a2993c519/ # netket/jax/_chunk_utils.py @@ -357,12 +348,13 @@ def wrapped(*args, **kwargs): def jacfwd_chunked( - fun: Callable, - argnums: int | Sequence[int] = 0, - has_aux: bool = False, + fun, + argnums=0, + has_aux=False, + holomorphic=False, *, chunk_size=None, -) -> Callable: +): """Jacobian of ``fun`` evaluated column-by-column using forward-mode AD. Parameters @@ -376,6 +368,8 @@ def jacfwd_chunked( Indicates whether ``fun`` returns a pair where the first element is considered the output of the mathematical function to be differentiated and the second element is auxiliary data. Default False. + holomorphic: Optional, bool. + Indicates whether ``fun`` is promised to be holomorphic. Default False. chunk_size: int The size of the batches to pass to vmap. If None, defaults to the largest possible chunk_size. @@ -404,7 +398,7 @@ def jacfun(*args, **kwargs): f_partial, dyn_args = argnums_partial( f, argnums, args, require_static_args_hashable=False ) - tree_map(_check_input_dtype_jacfwd, dyn_args) + tree_map(partial(_check_input_dtype_jacfwd, holomorphic), dyn_args) if not has_aux: pushfwd: Callable = partial(_jvp, f_partial, dyn_args) y, jac = vmap_chunked(pushfwd, chunk_size=chunk_size)(_std_basis(dyn_args)) @@ -418,7 +412,7 @@ def jacfun(*args, **kwargs): y = tree_map(lambda x: x[0], y) jac = tree_map(lambda x: jnp.moveaxis(x, 0, -1), jac) aux = tree_map(lambda x: x[0], aux) - + tree_map(partial(_check_output_dtype_jacfwd, holomorphic), y) example_args = dyn_args[0] if isinstance(argnums, int) else dyn_args jac_tree = tree_map(partial(_jacfwd_unravel, example_args), y, jac) if not has_aux: @@ -430,12 +424,14 @@ def jacfun(*args, **kwargs): def jacrev_chunked( - fun: Callable, - argnums: int | Sequence[int] = 0, - has_aux: bool = False, + fun, + argnums=0, + has_aux=False, + holomorphic=False, + allow_int=False, *, chunk_size=None, -) -> Callable: +): """Jacobian of ``fun`` evaluated row-by-row using reverse-mode AD. Parameters @@ -449,6 +445,12 @@ def jacrev_chunked( Indicates whether ``fun`` returns a pair where the first element is considered the output of the mathematical function to be differentiated and the second element is auxiliary data. Default False. + holomorphic: Optional, bool. + Indicates whether ``fun`` is promised to be holomorphic. Default False. + allow_int: Optional, bool. + Whether to allow differentiating with respect to integer valued inputs. The + gradient of an integer input will have a trivial vector-space dtype (float0). + Default False. chunk_size: int The size of the batches to pass to vmap. If None, defaults to the largest possible chunk_size. @@ -476,12 +478,12 @@ def jacfun(*args, **kwargs): f_partial, dyn_args = argnums_partial( f, argnums, args, require_static_args_hashable=False ) - tree_map(_check_input_dtype_jacrev, dyn_args) + tree_map(partial(_check_input_dtype_jacrev, holomorphic, allow_int), dyn_args) if not has_aux: y, pullback = _vjp(f_partial, *dyn_args) else: y, pullback, aux = _vjp(f_partial, *dyn_args, has_aux=True) - tree_map(_check_output_dtype_jacrev, y) + tree_map(partial(_check_output_dtype_jacrev, holomorphic), y) jac = vmap_chunked(pullback, chunk_size=chunk_size)(_std_basis(y)) jac = jac[0] if isinstance(argnums, int) else jac example_args = dyn_args[0] if isinstance(argnums, int) else dyn_args @@ -495,232 +497,3 @@ def jacfun(*args, **kwargs): return jac_tree, aux return jacfun - - -def _check_input_dtype_jacrev(x): - dispatch.check_arg(x) - aval = core.get_aval(x) - if ( - dtypes.issubdtype(aval.dtype, dtypes.extended) - or dtypes.issubdtype(aval.dtype, np.integer) - or dtypes.issubdtype(aval.dtype, np.bool_) - ): - raise TypeError( - f"jacrev_chunked requires real- or complex-valued inputs (input dtype " - f"that is a sub-dtype of np.inexact), but got {aval.dtype.name}. " - "If you want to use Boolean- or integer-valued inputs, use vjp " - "or set allow_int to True." - ) - elif not dtypes.issubdtype(aval.dtype, np.inexact): - raise TypeError( - f"jacrev_chunked requires numerical-valued inputs (input dtype that is a " - f"sub-dtype of np.bool_ or np.number), but got {aval.dtype.name}." - ) - - -def _check_output_dtype_jacrev(x): - aval = core.get_aval(x) - if dtypes.issubdtype(aval.dtype, dtypes.extended): - raise TypeError(f"jacrev_chunked with output element type {aval.dtype.name}") - elif dtypes.issubdtype(aval.dtype, np.complexfloating): - raise TypeError( - f"jacrev_chunked requires real-valued outputs (output dtype that is " - f"a sub-dtype of np.floating), but got {aval.dtype.name}. " - "For holomorphic differentiation, pass holomorphic=True. " - "For differentiation of non-holomorphic functions involving complex " - "outputs, use jax.vjp directly." - ) - elif not dtypes.issubdtype(aval.dtype, np.floating): - raise TypeError( - f"jacrev_chunked requires real-valued outputs (output dtype that is " - f"a sub-dtype of np.floating), but got {aval.dtype.name}. " - "For differentiation of functions with integer outputs, use " - "jax.vjp directly." - ) - - -def _check_input_dtype_jacfwd(x: Any) -> None: - dispatch.check_arg(x) - aval = core.get_aval(x) - if dtypes.issubdtype(aval.dtype, dtypes.extended): - raise TypeError(f"jacfwd with input element type {aval.dtype.name}") - elif not dtypes.issubdtype(aval.dtype, np.floating): - raise TypeError( - "jacfwd requires real-valued inputs (input dtype that is " - f"a sub-dtype of np.floating), but got {aval.dtype.name}. " - "For holomorphic differentiation, pass holomorphic=True. " - "For differentiation of non-holomorphic functions involving " - "complex inputs or integer inputs, use jax.jvp directly." - ) - - -def _jacfwd_unravel(input_pytree, output_pytree_leaf, arr): - return _unravel_array_into_pytree(input_pytree, -1, output_pytree_leaf, arr) - - -def _jacrev_unravel(output_pytree, input_pytree_leaf, arr): - return _unravel_array_into_pytree(output_pytree, 0, input_pytree_leaf, arr) - - -def _possible_downcast(x, example): - if dtypes.issubdtype(x.dtype, np.complexfloating) and not dtypes.issubdtype( - _dtype(example), np.complexfloating - ): - x = x.real - dtype = None if example is None else _dtype(example) - weak_type = None if example is None else dtypes.is_weakly_typed(example) - return lax_internal._convert_element_type(x, dtype, weak_type) - - -def _std_basis(pytree): - leaves, _ = tree_flatten(pytree) - ndim = sum(safe_map(np.size, leaves)) - dtype = dtypes.result_type(*leaves) - flat_basis = jnp.eye(ndim, dtype=dtype) - return _unravel_array_into_pytree(pytree, 1, None, flat_basis) - - -def _unravel_array_into_pytree(pytree, axis, example, arr): - """Unravel an array into a PyTree with a given structure. - - Parameters - ---------- - pytree: The pytree that provides the structure. - axis: The parameter axis is either -1, 0, or 1. It controls the - resulting shapes. - example: If specified, cast the components to the matching dtype/weak_type, - or else use the pytree leaf type if example is None. - arr: The array to be unraveled. - """ - leaves, treedef = tree_flatten(pytree) - axis = axis % arr.ndim - shapes = [arr.shape[:axis] + np.shape(l) + arr.shape[axis + 1 :] for l in leaves] - parts = _split(arr, np.cumsum(safe_map(np.size, leaves[:-1])), axis) - reshaped_parts = [ - _possible_downcast(np.reshape(x, shape), leaf if example is None else example) - for x, shape, leaf in zip(parts, shapes, leaves) - ] - return tree_unflatten(treedef, reshaped_parts) - - -def _split(x, indices, axis): - if isinstance(x, np.ndarray): - return np.split(x, indices, axis) - else: - return x._split(indices, axis) - - -def _jvp(fun: lu.WrappedFun, primals, tangents, has_aux=False): - """Variant of jvp() that takes an lu.WrappedFun.""" - if not isinstance(primals, (tuple, list)) or not isinstance( - tangents, (tuple, list) - ): - raise TypeError( - "primal and tangent arguments to jax.jvp must be tuples or lists; " - f"found {type(primals).__name__} and {type(tangents).__name__}." - ) - - ps_flat, tree_def = tree_flatten(primals) - ts_flat, tree_def_2 = tree_flatten(tangents) - if tree_def != tree_def_2: - raise TypeError( - "primal and tangent arguments to jax.jvp must have the same tree " - f"structure; primals have tree structure {tree_def} whereas tangents have " - f"tree structure {tree_def_2}." - ) - for p, t in zip(ps_flat, ts_flat): - if core.primal_dtype_to_tangent_dtype(_dtype(p)) != _dtype(t): - raise TypeError( - "primal and tangent arguments to jax.jvp do not match; " - "dtypes must be equal, or in case of int/bool primal dtype " - "the tangent dtype must be float0." - f"Got primal dtype {_dtype(p)} and so expected tangent dtype " - f"{core.primal_dtype_to_tangent_dtype(_dtype(p))}, but got " - f"tangent dtype {_dtype(t)} instead." - ) - if np.shape(p) != np.shape(t): - raise ValueError( - "jvp called with different primal and tangent shapes;" - f"Got primal shape {np.shape(p)} and tangent shape as {np.shape(t)}" - ) - - if not has_aux: - flat_fun, out_tree = flatten_fun_nokwargs(fun, tree_def) - out_primals, out_tangents = ad.jvp(flat_fun).call_wrapped(ps_flat, ts_flat) - out_tree = out_tree() - return ( - tree_unflatten(out_tree, out_primals), - tree_unflatten(out_tree, out_tangents), - ) - else: - flat_fun, out_aux_trees = flatten_fun_nokwargs2(fun, tree_def) - jvp_fun, aux = ad.jvp(flat_fun, has_aux=True) - out_primals, out_tangents = jvp_fun.call_wrapped(ps_flat, ts_flat) - out_tree, aux_tree = out_aux_trees() - return ( - tree_unflatten(out_tree, out_primals), - tree_unflatten(out_tree, out_tangents), - tree_unflatten(aux_tree, aux()), - ) - - -def _vjp(fun: lu.WrappedFun, *primals, has_aux=False): - """Variant of vjp() that takes an lu.WrappedFun.""" - primals_flat, in_tree = tree_flatten(primals) - for arg in primals_flat: - dispatch.check_arg(arg) - if not has_aux: - flat_fun, out_tree = flatten_fun_nokwargs(fun, in_tree) - out_primals, vjp = ad.vjp(flat_fun, primals_flat) - out_tree = out_tree() - else: - flat_fun, out_aux_trees = flatten_fun_nokwargs2(fun, in_tree) - out_primals, vjp, aux = ad.vjp(flat_fun, primals_flat, has_aux=True) - out_tree, aux_tree = out_aux_trees() - out_primal_avals = map(shaped_abstractify, out_primals) - out_primal_py = tree_unflatten(out_tree, out_primals) - vjp_py = Partial( - partial( - _vjp_pullback_wrapper, fun.__name__, out_primal_avals, (out_tree, in_tree) - ), - vjp, - ) - if not has_aux: - return out_primal_py, vjp_py - else: - return out_primal_py, vjp_py, tree_unflatten(aux_tree, aux) - - -def _vjp_pullback_wrapper(name, out_primal_avals, io_tree, fun, *py_args_): - (py_args,) = py_args_ - in_tree_expected, out_tree = io_tree - args, in_tree = tree_flatten(py_args) - if in_tree != in_tree_expected: - raise ValueError( - f"unexpected tree structure of argument to vjp function: " - f"got {in_tree}, but expected to match {in_tree_expected}" - ) - for arg, aval in zip(args, out_primal_avals): - ct_aval = shaped_abstractify(arg) - try: - ct_aval_expected = aval.to_tangent_type() - except AttributeError: - # https://github.com/jax-ml/jax/commit/018189491bde26fe9c7ade1213c5cbbad8bca1c6 - ct_aval_expected = aval.at_least_vspace() - if not core.typecompat( - ct_aval, ct_aval_expected - ) and not _temporary_dtype_exception(ct_aval, ct_aval_expected): - raise ValueError( - "unexpected JAX type (e.g. shape/dtype) for argument to vjp function: " - f"got {ct_aval.str_short()}, but expected " - f"{ct_aval_expected.str_short()} because the corresponding output " - f"of the function {name} had JAX type {aval.str_short()}" - ) - ans = fun(*args) - return tree_unflatten(out_tree, ans) - - -def _temporary_dtype_exception(a, a_) -> bool: - if isinstance(a, core.ShapedArray) and isinstance(a_, core.ShapedArray): - return a.shape == a_.shape and a_.dtype == dtypes.float0 - return False From 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z8GAH^#{#Il`yN!O0?_*lSWmJ8a>d;S8!U!LK_Jz@kPz}RnzF{`7jJ$+L5EWZpw(RZ z=fP}<$*?aE=ALoZ2B=UmFm`xlA!Zu?Zx`9UubZ5=+(1M7 Qh6H}{vMMrFP}9Kw12BD6;Q#;t From 11ab66cd5672f23ad1e0e369392dd37560027d8a Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Sat, 28 Sep 2024 14:39:26 +0200 Subject: [PATCH 20/29] Revert "Update plotting test baseline for legend behavior" This reverts commit 1e2d455026822cd481c53ff60cc054c97b9ead27. --- tests/baseline/test_plot_boundary.png | Bin 41362 -> 53411 bytes 1 file changed, 0 insertions(+), 0 deletions(-) diff --git a/tests/baseline/test_plot_boundary.png b/tests/baseline/test_plot_boundary.png index 1cfad171e20f7d40841f96f70b85938cd5703f39..9a7ad0042476827b837e0393e57509e7772d484d 100644 GIT binary patch literal 53411 zcmdqJby(Hk_a{mS(k&$+9nv5jN=m1INQ0DgcSyH@bc28hQVPaRtpIUMIZ4C z10DXR-6~@VUPRpG^xd_ctlYiKT%RJTnz=jMJGtB2n&0t!>gs0e4-Rs-BkUW|d}MCR;tux^(1v zq5CbbB|_|VCl0?`P!NvFojZ#|OURO={h>Eqw?-uLH7%EO-1bE%~Z*@6zN 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zr8|URXN-o(!3S1W9AdWJs}(Pgwx;o3d3c!ajDuUNnJPu+qdq-7?Yp&s%w`2qtFR3^ znpxKC>nz>p&0p1oB5q4R$XMk(u!d1=a;!eaprP5>*__7+t{gd#?9;1XZ|Lvs?d2C1 zu2;wj3)e-yTJ6tZmhp_4oSbxLH3JdZ!RD`SU|^8;SC-9scLMrVg*)yqYuaB4SrF!n z?U85K#E_^pkUfJ&L2Txil-N#uvEjT%LN8?eBVO>CSDIO)&pj}d7cb7XSK1iNtN~qQ zMMeumCZGsz`@*R+ZEkEeo;l+I7Vbk`U7836VOvnF<5W#-TLi<<@bGZ`)~M{!l%j@) zM%sSkey_Cg>yalJd4e#)*nyz&i)6 zd1?jDuIN2^vU|Ew3S9+0mNOx{-V_TQ((e&BY{(ND&*`gxBc$O-X^Nrb@ITs|6gtH5 roNyiUMkU_=$dmt`Gygm9$1e#VMNNFexNR5XffxLtrc%iR^T7WD&x7s+ From 4a474c305b731737edd84d8f89258ad0cf3ae423 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Sat, 28 Sep 2024 16:39:13 +0200 Subject: [PATCH 23/29] - Reflect the current behavior of the unit test correctly - Reduce tolerance of plot_boundaries from 2d to 1d, since it is a line plot --- tests/baseline/test_plot_boundaries.png | Bin 41362 -> 38593 bytes tests/test_plotting.py | 8 ++++---- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/tests/baseline/test_plot_boundaries.png 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zr8|URXN-o(!3S1W9AdWJs}(Pgwx;o3d3c!ajDuUNnJPu+qdq-7?Yp&s%w`2qtFR3^ znpxKC>nz>p&0p1oB5q4R$XMk(u!d1=a;!eaprP5>*__7+t{gd#?9;1XZ|Lvs?d2C1 zu2;wj3)e-yTJ6tZmhp_4oSbxLH3JdZ!RD`SU|^8;SC-9scLMrVg*)yqYuaB4SrF!n z?U85K#E_^pkUfJ&L2Txil-N#uvEjT%LN8?eBVO>CSDIO)&pj}d7cb7XSK1iNtN~qQ zMMeumCZGsz`@*R+ZEkEeo;l+I7Vbk`U7836VOvnF<5W#-TLi<<@bGZ`)~M{!l%j@) zM%sSkey_Cg>yalJd4e#)*nyz&i)6 zd1?jDuIN2^vU|Ew3S9+0mNOx{-V_TQ((e&BY{(ND&*`gxBc$O-X^Nrb@ITs|6gtH5 roNyiUMkU_=$dmt`Gygm9$1e#VMNNFexNR5XffxLtrc%iR^T7WD&x7s+ diff --git a/tests/test_plotting.py b/tests/test_plotting.py index 6048a7d60..c1020a85d 100644 --- a/tests/test_plotting.py +++ b/tests/test_plotting.py @@ -47,9 +47,9 @@ from desc.utils import isalmostequal from desc.vmec import VMECIO -tol_1d = 7.8 -tol_2d = 15 -tol_3d = 15 +tol_1d = 0.5 # 7.8 +tol_2d = 0.5 # 15 +tol_3d = 0.5 # 15 @pytest.mark.unit @@ -507,7 +507,7 @@ def test_plot_boundary_surface(self): return fig @pytest.mark.unit - @pytest.mark.mpl_image_compare(remove_text=True, tolerance=tol_2d) + @pytest.mark.mpl_image_compare(remove_text=True, tolerance=tol_1d) def test_plot_boundaries(self): """Test plotting boundaries.""" eq1 = get("SOLOVEV") From efcb1cc2a7d1ad3e0ba3238cb613a2a81d37c000 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Sat, 28 Sep 2024 16:46:14 +0200 Subject: [PATCH 24/29] Fix reverted to old plotting tolerances --- tests/test_plotting.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/tests/test_plotting.py b/tests/test_plotting.py index c1020a85d..091c376d1 100644 --- a/tests/test_plotting.py +++ b/tests/test_plotting.py @@ -47,9 +47,9 @@ from desc.utils import isalmostequal from desc.vmec import VMECIO -tol_1d = 0.5 # 7.8 -tol_2d = 0.5 # 15 -tol_3d = 0.5 # 15 +tol_1d = 7.8 +tol_2d = 15 +tol_3d = 15 @pytest.mark.unit From 972c695a969cc925b7c6e97c92c89b4090eb4ab4 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Mon, 30 Sep 2024 13:48:02 +0200 Subject: [PATCH 25/29] - Add test to check - Capture the regression in test_plot_boundaries behavior from 7b6b5a35bf40e41ff37600920c886a47e95b79bd --- tests/test_plotting.py | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/tests/test_plotting.py b/tests/test_plotting.py index 091c376d1..04612841b 100644 --- a/tests/test_plotting.py +++ b/tests/test_plotting.py @@ -516,6 +516,11 @@ def test_plot_boundaries(self): eq4 = get("ESTELL") with pytest.raises(ValueError, match="differing field periods"): fig, ax = plot_boundaries([eq3, eq4], theta=0) + _, _, data1 = plot_boundaries( + (eq1, eq2, eq3), + phi=4, + return_data=True, + ) fig, ax, data = plot_boundaries( (eq1, eq2, eq3), phi=np.linspace(0, 2 * np.pi / eq3.NFP, 4, endpoint=False), @@ -525,6 +530,12 @@ def test_plot_boundaries(self): assert "Z" in data.keys() assert len(data["R"]) == 3 assert len(data["Z"]) == 3 + assert ( + data["R"][-1].shape == data1["R"][-1].shape + ), "Passing phi as an integer or array results in different behavior" + assert ( + data["Z"][-1].shape == data1["Z"][-1].shape + ), "Passing phi as an integer or array results in different behavior" return fig From 66afc3202058a5b54e595a744a6c162fa2c7925f Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Mon, 30 Sep 2024 13:50:00 +0200 Subject: [PATCH 26/29] - Fix plot_boundaries skipping the last phi element when passing an array --- desc/plotting.py | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/desc/plotting.py b/desc/plotting.py index 180838bb4..4c0e6d497 100644 --- a/desc/plotting.py +++ b/desc/plotting.py @@ -2120,9 +2120,7 @@ def plot_boundaries( phi = (1 if eqs[-1].N == 0 else 4) if phi is None else phi if isinstance(phi, numbers.Integral): - phi = np.linspace( - 0, 2 * np.pi / eqs[-1].NFP, phi + 1 - ) # +1 to include pi and 2pi + phi = np.linspace(0, 2 * np.pi / eqs[-1].NFP, phi, endpoint=False) phi = np.atleast_1d(phi) neq = len(eqs) @@ -2173,7 +2171,7 @@ def plot_boundaries( plot_data["R"].append(R) plot_data["Z"].append(Z) - for j in range(nz - 1): + 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04612841b..33f3e1152 100644 --- a/tests/test_plotting.py +++ b/tests/test_plotting.py @@ -47,9 +47,9 @@ from desc.utils import isalmostequal from desc.vmec import VMECIO -tol_1d = 7.8 -tol_2d = 15 -tol_3d = 15 +tol_1d = 4.5 +tol_2d = 10 +tol_3d = 10 @pytest.mark.unit From 93b8b618b649d50f24d1ee862fdf728ca86db93d Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Mon, 30 Sep 2024 14:28:08 +0200 Subject: [PATCH 28/29] - Updated bounce1d integral plotting baseline --- tests/baseline/test_bounce1d_checks.png | Bin 65494 -> 66413 bytes 1 file changed, 0 insertions(+), 0 deletions(-) diff --git a/tests/baseline/test_bounce1d_checks.png b/tests/baseline/test_bounce1d_checks.png index e43ba54cd40de627e3856588acb4bda7e1781f46..f3927bec6171db0a6b25dfdfa9762d8ad29d5b53 100644 GIT binary patch literal 66413 zcmeFYbyOVDvo1OVLl_8w!3jD@kl=*iG9+lQAi*Ix1a}BJ5JGSb7A$yhcMlLkaJS&@ z?sl8}&bjZc_1^pct-H=z$aGJ4bye-!wQGO%b>}7iHx+kG6;kU2Z2yD zppSqv-(39cfPef>5*kh_wx&+51`Z}5c>^aqD_bY44~B3T69>l+wl*)=_}MsF;O0(F 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zjV=L86GRtvsbrWH_#Jy`ey}|m<2;|2j_M2&#S0qV+~3S-wnbEK=$+*FSHSS0>wN`W(mJXtlV{fdeULM`sb$G@;?j*-!2{p+a&Gj zcZ{4~9&Jr{ciOIZad4f0$sSpb5{SN+zLIM@@YBsiF-;C2dpb;?rt~>Yd5&*YVB3%O zXD_k;Q003u=J(B;_4oZqgsUI7E9Xq#FkOiPXhaB`^sCq1lLeXzVdf z#we%@dipX9_85|n!NgRxwduXLS1!L-)!6z5Cgmk)cD6+n`0Tkn>rQM2ZzNDMF#*Up z3bYOpVW9O8vyIx5gIackOAr|)<3`0`b(Ew3!Kik%0n|x Date: Tue, 1 Oct 2024 12:52:45 -0400 Subject: [PATCH 29/29] fix bug in QuasisymmetryBoozer.dim_f --- desc/objectives/_omnigenity.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/desc/objectives/_omnigenity.py b/desc/objectives/_omnigenity.py index 415716c2e..b720608b4 100644 --- a/desc/objectives/_omnigenity.py +++ b/desc/objectives/_omnigenity.py @@ -163,7 +163,7 @@ def build(self, use_jit=True, verbose=1): M_booz=M_booz, N_booz=N_booz, ) - matrix, modes, idx = ptolemy_linear_transform( + matrix, _, idx = ptolemy_linear_transform( transforms["B"].basis.modes, helicity=self.helicity, NFP=transforms["B"].basis.NFP, @@ -180,7 +180,7 @@ def build(self, use_jit=True, verbose=1): if verbose > 1: timer.disp("Precomputing transforms") - self._dim_f = idx.size + self._dim_f = idx.size * grid.num_rho if self._normalize: scales = compute_scaling_factors(eq)