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Fix docstrings to include vinardo for python bindings #281

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Fix docstrings to include vinardo for python bindings #281

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c02f128
Fix a docstring to include `vinardo` for `sf_name`
eunos-1128 Feb 22, 2024
ab719b7
Add `vinardo` into docstrings
eunos-1128 Feb 22, 2024
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6 changes: 3 additions & 3 deletions build/python/vina/vina.py
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Original file line number Diff line number Diff line change
Expand Up @@ -20,7 +20,7 @@ def __init__(self, sf_name='vina', cpu=0, seed=0, no_refine=False, verbosity=1):
"""Initialize a Vina object.

Args:
sf_name (str): Scoring function name to use (Vina or ad4) (default: vina)
sf_name (str): Scoring function name to use (vina, vinardo or ad4) (default: vina)
cpu (int): Number of CPU to use (default: 0; use all of them)
seed (int): Random seed (default: 0; ramdomly choosed)
no_refine (boolean): when receptor is provided, do not use explicit receptor atoms
Expand Down Expand Up @@ -207,7 +207,7 @@ def set_ligand_from_string(self, pdbqt_string):
self._ligands = pdbqt_string

def set_weights(self, weights):
"""Set potential weights for vina or ad4 scoring function.
"""Set potential weights for vina, vinardo or ad4 scoring function.

Args:
weights (list): list or weights
Expand Down Expand Up @@ -266,7 +266,7 @@ def compute_vina_maps(self, center, box_size, spacing=0.375, force_even_voxels=F
self._voxels[2] += int(self._voxels[2] % 2 == 1)

def load_maps(self, map_prefix_filename):
"""Load vina or ad4 affinity maps.
"""Load vina, vinardo or ad4 affinity maps.

Args:
map_prefix_filename (str): affinity map prefix filename
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