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Bin count documentation
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PKua007 committed Oct 13, 2023
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51 changes: 39 additions & 12 deletions docs/observables.md
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Expand Up @@ -411,6 +411,7 @@ The following bulk observables are available:
* [Class `pair_averaged_correlation`](#class-pair_averaged_correlation)
* [Class `density_histogram`](#class-density_histogram)
* [Class `probability_evolution`](#class-probability_evolution)
* [Class `bin_averaged_function`](#class-bin_averaged_function)

Each observable has a **short name**, which is used in the output file name.

Expand All @@ -421,7 +422,8 @@ Each observable has a **short name**, which is used in the output file name.
pair_density_correlation(
max_r,
n_bins,
binning
binning,
print_count = False
)
```

Expand All @@ -439,10 +441,13 @@ the standard [radial distribution function](https://en.wikipedia.org/wiki/Radial
* ***binning*** <br />
[Binning type](#binning-types) used. It defines what *distance* as a norm of a *distance vector* means. For example, for
`binning = radial`, *distance* reduces to a standard Euclidean distance between the particles.
* `since v1.2.0` ***print_count*** (*= False*) <br />
If `True`, additional column with total bin count from all snapshots will be added to the output.
* **Short name**: `rho_[binning name]`, where `[binning name]` depends on the [binning type](#binning-types) (`binning`
argument).
* **Output**:
Rows with space-separated pairs (*r*, *&rho;*(*r*)).
Rows with space-separated pairs (*r*, *&rho;*(*r*)). If `print_count = True`, additional column with total bin count
from all snapshots is added.


### Class `pair_averaged_correlation`
Expand Down Expand Up @@ -472,11 +477,14 @@ distance around *r*.
[correlation function](#correlation-functions) also use the *distance vector* explicitly.
* ***function*** <br />
Two-particle [correlation functions](#correlation-functions) which is being averaged.
* `since v1.2.0` ***print_count*** (*= False*) <br />
If `True`, additional column with total bin count from all snapshots will be added to the output.
* **Short name**: `[function name]_[binning name]`, where `[function name]` depends on the
[correlation function](#correlation-functions) (`function` argument), while `[binning name]` depends on the
[binning type](#binning-types) (`binning` argument).
* **Output**:
Rows with space-separated pairs (*r*, *S*(*r*)).
Rows with space-separated pairs (*r*, *S*(*r*)). If `print_count = True`, additional column with total bin count from
all snapshots is added.


### Class `density_histogram`
Expand All @@ -486,7 +494,9 @@ density_histogram(
n_bins_x = None,
n_bins_y = None,
n_bins_z = None,
tracker = None
tracker = None,
normalization = "unit",
print_count = False
)
```

Expand All @@ -503,11 +513,20 @@ the domain is always [0, 1)<sup>*d*</sup>, where *d* is the dimension.
specify `n_bins_x = 1` (or `n_bins_x = None`), `n_bins_y = 100` and `n_bins_z = 100`.
* ***tracker*** (*= None*) <br />
[Goldstone tracker](#trackers) used to cancel out system drift. If `None`, no compensation is applied.
* `since v1.2.0` ***normalization*** (*= "unit"*) <br />
Normalization of the density. Allowed values:
* `"avg_count"` <br />
No normalization is performed - each bin contains the count divided by the number of snapshots.
* `"unit"` <br />
Average value in the bin is normalized to 1.
* `since v1.2.0` ***print_count*** (*= False*) <br />
If `True`, additional column with total bin count from all snapshots will be added to the output.
* **Short name**: `rho_xyz`
* **Output**:
Rows with space-separated tuples (*b*<sub>x</sub>, *b*<sub>y</sub>, *b*<sub>z</sub>, *&rho;*(**b**)), where **b** is
relative middle of the bin (with coordinates from the range [0, 1)). If the direction is turned off, the corresponding
bin coordinate is equal 0.5.
bin coordinate is equal 0.5. If `print_count = True`, additional column with total bin count from all snapshots is
added.


### Class `probability_evolution`
Expand All @@ -520,7 +539,8 @@ probability_evolution(
fun_range,
n_bins_fun,
function,
normalization = None
normalization = "avg_count",
print_count = False
)
```

Expand Down Expand Up @@ -548,21 +568,24 @@ where prob(*f*|*r*) is a conditional probability density of correlation function
are the statistics in the single bin.
* ***function*** <br />
Two-particle [correlation function](#correlation-functions) which is being averaged.
* ***normalization*** (*= None*) <br />
* ***normalization*** (*= "avg_count"*) <br />
How *P*(*r*, *f*) should be normalized. There are 3 options:
* `None` <br />
* `"avg_count"` or (<span style="color:orange">[[deprecated since v1.2.0]]</span> `None`) <br />
No normalization is performed. The values are snapshot-averaged counts of particles in the bins. Please
note than in that case the sum of counts for a fixed distance *r* is proportional to the
note that in that case, the sum of counts for a fixed distance *r* is proportional to the
[pair density correlation function](#class-pair_density_correlation).
* `"pdf"` <br />
Standard probability density function normalization, for which &int;*P*(*r*, *f*) d*f* = 1.
* `"unit"` <br />
Average value in the bin is normalized to 1: &int;*P*(*r*, *f*) d*f* = *f*<sub>max</sub> - *f*<sub>min</sub>
* `since v1.2.0` ***print_count*** (*= False*) <br />
If `True`, additional column with total bin count from all snapshots will be added to the output.
* **Short name**: `prob_[function name]_[binning name]`, where `[function name]` depends on the
[correlation function](#correlation-functions) (`function` argument), while `[binning name]` depends on the
[binning type](#binning-types) (`binning` argument).
* **Output**:
Rows with space-separated 3-tuples (*r*, *f*, *P*(*r*, *f*)), where *r*, *f* are bin middles.
Rows with space-separated 3-tuples (*r*, *f*, *P*(*r*, *f*)), where *r*, *f* are bin middles. If `print_count = True`,
additional column with total bin count from all snapshots is added.


### Class `bin_averaged_function`
Expand All @@ -575,7 +598,8 @@ bin_averaged_function(
n_bins_x = None,
n_bins_y = None,
n_bins_z = None,
tracker = None
tracker = None,
print_count = False
)
```

Expand All @@ -595,12 +619,15 @@ dimension.
specify `n_bins_x = 1` (or `n_bins_x = None`), `n_bins_y = 100` and `n_bins_z = 100`.
* ***tracker*** (*= None*) <br />
[Goldstone tracker](#trackers) used to cancel out system drift. If `None`, no compensation is applied.
* `since v1.2.0` ***print_count*** (*= False*) <br />
If `True`, additional column with total bin count from all snapshots will be added to the output.
* **Short name**: `[function name]_xyz`, where `[function name]` is shape function's *primary name*.
* **Output**:
Rows with space-separated tuples (*b<sub>x</sub>*, *b<sub>y</sub>*, *b<sub>z</sub>*, *f*<sub>1</sub>(**b**), ...,
*f*<sub>*n*</sub>(**b**)), where **b** is relative middle of the bin (with coordinates from the range [0, 1)) and
*f*<sub>1</sub>(**b**), ..., *f*<sub>*n*</sub>(**b**) are subsequent bin and snapshot averaged function values. If the
direction is turned off, the corresponding bin coordinate is equal 0.5.
direction is turned off, the corresponding bin coordinate is equal 0.5. If `print_count = True`, additional column
with total bin count from all snapshots is added.


## Trackers
Expand Down

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