|
|
ok
|
ok ( self )
ok() -> bool
|
|
|
clearSAMap
|
clearSAMap ( self )
clearSAMap()
|
|
|
isBlankLine
|
isBlankLine ( self, s )
isBlankLine(s: str) -> bool
|
|
|
readMol2file
|
readMol2file ( self, filename )
readMol2file(filename: str) -> list of Molecule
|
|
|
splitLine
|
splitLine ( self, s )
splitLine(s: str) -> list of str
|
|
|
addAtomWithId
|
addAtomWithId (
self,
id,
a,
)
addAtomWithId(id: int, a: Atom)
|
|
|
atomWithId
|
atomWithId ( self, id )
atomWithId(id: int) -> Atom
|
|
|
atomsInSubst
|
atomsInSubst ( self, substId )
atomsInSubst(substId: int) -> list of Atom
|
|
|
addAtomToSubst
|
addAtomToSubst (
self,
substId,
a,
)
addAtomToSubst(substId: int, a: Atom)
|
|
|
error
|
error ( self )
error() -> str
|
|
|
clearAtomIdMap
|
clearAtomIdMap ( self )
clearAtomIdMap()
|
|