/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016, by the GROMACS development team, led by
+ * Copyright (c) 2016,2017, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
{
int atomIndexInMolecule;
mtopGetMolblockIndex(mtop, globalAtomIndex, moleculeBlock,
- NULL, &atomIndexInMolecule);
+ nullptr, &atomIndexInMolecule);
const gmx_moltype_t &moltype = mtop->moltype[mtop->molblock[*moleculeBlock].type];
return moltype.atoms.atom[atomIndexInMolecule];
}
{
int atomIndexInMolecule;
mtopGetMolblockIndex(mtop, globalAtomIndex, moleculeBlock,
- NULL, &atomIndexInMolecule);
+ nullptr, &atomIndexInMolecule);
const gmx_moltype_t &moltype = mtop->moltype[mtop->molblock[*moleculeBlock].type];
const int resind = moltype.atoms.atom[atomIndexInMolecule].resind;
return moltype.atoms.resinfo[resind];
{
int atomIndexInMolecule;
mtopGetMolblockIndex(mtop, globalAtomIndex, moleculeBlock,
- NULL, &atomIndexInMolecule);
+ nullptr, &atomIndexInMolecule);
const gmx_moltype_t &moltype = mtop->moltype[mtop->molblock[*moleculeBlock].type];
GMX_ASSERT(moltype.atoms.havePdbInfo, "PDB information not present when requested");
return moltype.atoms.pdbinfo[atomIndexInMolecule];