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Use Logging for info and warning printouts
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kbarros committed Jul 25, 2023
1 parent 60b87c1 commit 89dcd23
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Showing 6 changed files with 16 additions and 17 deletions.
2 changes: 1 addition & 1 deletion src/Operators/Symbolic.jl
Original file line number Diff line number Diff line change
Expand Up @@ -67,7 +67,7 @@ function operator_to_matrix(p::DP.AbstractPolynomialLike; N)
[stevens_operator_symbols[k] => stevens_matrices(k; N) for k=1:6]...
)
if !(rep rep')
println("Warning: Symmetrizing non-Hermitian operator '$p'.")
@warn "Symmetrizing non-Hermitian operator '$p'."
end
# Symmetrize in any case for slightly more accuracy
return (rep+rep')/2
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4 changes: 2 additions & 2 deletions src/Symmetry/AllowedAnisotropy.jl
Original file line number Diff line number Diff line change
Expand Up @@ -135,7 +135,7 @@ function suggest_frame_for_atom(cryst::Crystal, i::Int)
end

if isempty(axes_counts)
println("Warning: Could not find a symmetry axis.")
@warn "Could not find a symmetry axis."
return Mat3(I)
end

Expand Down Expand Up @@ -170,7 +170,7 @@ function suggest_frame_for_atom(cryst::Crystal, i::Int)
orthogonal_axes_counts = filter(x -> abs(x[1]z_dir) < 1e-12, axes_counts)

if isempty(orthogonal_axes_counts)
println("Warning: Could not find a symmetry axis orthogonal to $z_dir.")
@warn "Could not find a symmetry axis orthogonal to $z_dir."
x_dir = (z_dir Vec3(1,0,0)) ? Vec3(0,0,1) : Vec3(1,0,0)
x_dir = normalize(x_dir - (x_dirz_dir)*z_dir)
else
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19 changes: 9 additions & 10 deletions src/Symmetry/Crystal.jl
Original file line number Diff line number Diff line change
Expand Up @@ -134,14 +134,13 @@ function Crystal(latvecs, positions, spacegroup_number::Int; types::Union{Nothin
end

function print_crystal_warnings(latvecs, positions)
det(latvecs) < 0 && println("Warning: Lattice vectors are not right-handed.")
det(latvecs) < 0 && @warn "Lattice vectors are not right-handed."
if length(positions) >= 100
println("""
Warning: This a very large crystallographic cell, which Sunny does not handle well.
If the intention is to model chemical inhomogeneity, the recommended procedure is as
follows: First, create a small unit cell with an idealized structure. Next, create
a perfectly periodic `System` of the desired size. Finally, use `to_inhomogeneous`
and related functions to design a system with the desired inhomogeneities.""")
@warn """This a very large crystallographic cell, which Sunny does not handle well.
If the intention is to model chemical inhomogeneity, the recommended procedure is as
follows: First, create a small unit cell with an idealized structure. Next, create
a perfectly periodic `System` of the desired size. Finally, use `to_inhomogeneous`
and related functions to design a system with the desired inhomogeneities."""
end
end

Expand Down Expand Up @@ -370,8 +369,8 @@ function crystal_from_symops(latvecs::Mat3, positions::Vector{Vec3}, types::Vect
end

if !is_subgroup
println("""Warning: User provided symmetry operation could not be inferred by Spglib,
which likely indicates a non-conventional unit cell.""")
@warn """User provided symmetry operation could not be inferred by Spglib,
which likely indicates a non-conventional unit cell."""
end

# If the inferred symops match the provided ones, then we use the inferred
Expand Down Expand Up @@ -492,7 +491,7 @@ function subcrystal(cryst::Crystal, classes::Vararg{Int, N}) where N
new_sitesyms = cryst.sitesyms[atoms]

if atoms != 1:maximum(atoms)
println("Warning: atoms are being renumbered.")
@warn "Atoms are being renumbered."
end

ret = Crystal(cryst.latvecs, cryst.prim_latvecs, new_positions, new_types, new_classes, new_sitesyms,
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4 changes: 2 additions & 2 deletions src/Symmetry/Printing.jl
Original file line number Diff line number Diff line change
Expand Up @@ -282,8 +282,8 @@ function print_allowed_anisotropy(cryst::Crystal, i::Int; R::Mat3, atol, digits,
for b in reverse(collect(eachcol(B)))

if any(x -> 1e-12 < abs(x) < 1e-6, b)
println("""Warning: Found a very small but nonzero expansion coefficient.
This may indicate a slightly misaligned reference frame.""")
@warn """Found a very small but nonzero expansion coefficient.
This may indicate a slightly misaligned reference frame."""
end

# rescale column by its minimum nonzero value
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2 changes: 1 addition & 1 deletion src/System/OnsiteCoupling.jl
Original file line number Diff line number Diff line change
Expand Up @@ -152,7 +152,7 @@ function set_onsite_coupling!(sys::System{N}, op::Matrix{ComplexF64}, i::Int) wh
(1 <= i <= natoms(sys.crystal)) || error("Atom index $i is out of range.")

if !iszero(ints[i].onsite)
println("Warning: Overriding anisotropy for atom $i.")
@info "Overriding anisotropy for atom $i."
end

onsite = OnsiteCoupling(sys, op, sys.Ns[1,1,1,i])
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2 changes: 1 addition & 1 deletion src/System/PairExchange.jl
Original file line number Diff line number Diff line change
Expand Up @@ -99,7 +99,7 @@ function set_exchange!(sys::System{N}, J, bond::Bond; biquad=0.) where N

# Print a warning if an interaction already exists for bond
if any(x -> x.bond == bond, ints[bond.i].pair)
println("Warning: Overriding exchange for bond $bond.")
@info "Overriding exchange for bond $bond."
end

for i in 1:natoms(sys.crystal)
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