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docstrings
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marta-sd committed Feb 6, 2018
1 parent 916ac4c commit c5edb18
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Showing 2 changed files with 12 additions and 0 deletions.
6 changes: 6 additions & 0 deletions oddt/toolkits/ob.py
Original file line number Diff line number Diff line change
Expand Up @@ -812,27 +812,33 @@ def __init__(self, OBResidue):

@property
def atoms(self):
"""List of Atoms in the Residue"""
return [Atom(atom) for atom in ob.OBResidueAtomIter(self.OBResidue)]

@property
@deprecated('Use `idx0` instead.')
def idx(self):
"""Internat index of the Residue"""
return self.OBResidue.GetIdx()

@property
def idx0(self):
"""Internat index of the Residue"""
return self.OBResidue.GetIdx()

@property
def number(self):
"""Residue number"""
return self.OBResidue.GetNum()

@property
def chain(self):
"""Resdiue chain ID"""
return self.OBResidue.GetChain()

@property
def name(self):
"""Residue name"""
return self.OBResidue.GetName()

def __iter__(self):
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6 changes: 6 additions & 0 deletions oddt/toolkits/rdk.py
Original file line number Diff line number Diff line change
Expand Up @@ -1337,6 +1337,7 @@ def __init__(self, ParentMol, atom_path, idx=0):

@property
def atoms(self):
"""List of Atoms in the Residue"""
if len(self.atom_path) == 1:
return [Atom(self.ParentMol.GetAtomWithIdx(self.atom_path[0]))]
else:
Expand All @@ -1345,22 +1346,27 @@ def atoms(self):
@property
@deprecated('Use `idx0` instead.')
def idx(self):
"""Internat index of the Residue"""
return self._idx

@property
def idx0(self):
"""Internat index of the Residue"""
return self._idx

@property
def number(self):
"""Residue number"""
return self.MonomerInfo.GetResidueNumber() if self.MonomerInfo else 0

@property
def chain(self):
"""Resdiue chain ID"""
return self.MonomerInfo.GetChainId() if self.MonomerInfo else ''

@property
def name(self):
"""Residue name"""
return self.MonomerInfo.GetResidueName() if self.MonomerInfo else 'UNL'

def __iter__(self):
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