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Update fstar.py
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pymatgen/analysis/fstar/fstar.py

Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -46,7 +46,7 @@ def __init__(self, structures: list[Structure], scattering_type: str = "X-ray"):
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try:
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if struct.equivalent_indices == structures[ind - 1].equivalent_indices:
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continue
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raise ValueError("All structues must only vary in occupancy.")
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raise ValueError("All structures must only vary in occupancy.")
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except AttributeError:
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raise AttributeError("Must use symmeteized structure objects")
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self._structures = structures
@@ -64,7 +64,7 @@ def combine_sites(self, site_lists: list[list[str]]) -> None:
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Many structures have more than three sites. If this is the case you may want to
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add some sites together to make a psudo-site.
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Args:
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site_lists(list): A list of lists of site lable strings. This allows you to combine
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site_lists(list): A list of lists of site label strings. This allows you to combine
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more than one set of sites at once.
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"""
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for combo in site_lists:
@@ -79,7 +79,7 @@ def set_plot_list(self, site_list: list[str]) -> None:
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"""
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set the list of sites to plot and the order to plot them in.
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Args:
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site_list(list): A list of site lable strings. Index 0 goes on the top of the
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site_list(list): A list of site label strings. Index 0 goes on the top of the
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plot, index 1 goes on the bottom left, and index 2 goes on the bottom right.
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"""
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for site in site_list:
@@ -89,7 +89,7 @@ def set_plot_list(self, site_list: list[str]) -> None:
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def make_plot(self, **kwargs):
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"""
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Makes a plotly express scatter_ternary plot useing the fstar_coords dataframe and the
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Makes a plotly express scatter_ternary plot using the fstar_coords dataframe and the
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sites in plot list.
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Args:
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**kwargs: this can be any argument that the scatter_ternary fucntion can use.
@@ -100,7 +100,7 @@ def make_plot(self, **kwargs):
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def _get_site_labels(self):
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"""
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Generates unique site labels based on composition, order, and symetry equivalence in the structure object.
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Generates unique site labels based on composition, order, and symmetry equivalence in the structure object.
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Ex:
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Structure Summary
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Lattice

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