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schwede
openstructure
Commits
72428138
Verified
Commit
72428138
authored
1 year ago
by
Xavier Robin
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document internal processor functions
parent
4bbde7b8
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modules/conop/src/processor.cc
+11
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modules/conop/src/processor.cc
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72428138
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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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