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Verified Commit 72428138 authored by Xavier Robin's avatar Xavier Robin
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document internal processor functions

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......@@ -259,7 +259,10 @@ void Processor::ConnectResidues(mol::ResidueHandle rh,
}
}
/// \brief Return the AtomHandle corresponding to AtomSpecList[ordinal]
/// This function assumes that the State of the AtomImpl has been set to the
/// index on the AtomSpec of the compound (see ReorderAtoms).
/// Returns an Invalid AtomHandle if the atom is not present.
mol::AtomHandle Processor::LocateAtom(const mol::AtomHandleList& ahl,
int ordinal) const
{
......@@ -318,7 +321,13 @@ void Processor::ConnectAtomsOfResidue(mol::ResidueHandle rh,
}
}
/// \brief Reorder atoms to follow the order in the compound AtomSpecs
///
/// This function reorders atoms so that atom names appear in the same order as
/// the atoms in the compound's AtomSpec. Unknown atoms (ie atoms not in the
/// compound) are sorted to the back.
/// Side effect: sets the State on the AtomImpl to the index of the Atom
/// on the AtomSpecs list.
void Processor::ReorderAtoms(mol::ResidueHandle residue,
CompoundPtr compound,
bool fix_element) const
......
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