gmx_int64_t numMolecules,
tng_molecule_t *tngMol)
{
- tng_chain_t tngChain = NULL;
- tng_residue_t tngRes = NULL;
+ tng_chain_t tngChain = nullptr;
+ tng_residue_t tngRes = nullptr;
if (tng_molecule_add(tng, moleculeName, tngMol) != TNG_SUCCESS)
{
{
const t_resinfo *resInfo = &atoms->resinfo[at->resind];
char chainName[2] = {resInfo->chainid, 0};
- tng_atom_t tngAtom = NULL;
+ tng_atom_t tngAtom = nullptr;
t_atom *prevAtom;
if (atomIndex > 0)
}
else
{
- prevAtom = 0;
+ prevAtom = nullptr;
}
/* If this is the first atom or if the residue changed add the
for (int molIndex = 0; molIndex < mtop->nmolblock; molIndex++)
{
- tng_molecule_t tngMol = NULL;
+ tng_molecule_t tngMol = nullptr;
const gmx_moltype_t *molType =
&mtop->moltype[mtop->molblock[molIndex].type];
gmx_bool bOK = TRUE;
tng_function_status stat;
gmx_int64_t numberOfAtoms = -1, frameNumber = -1;
- gmx_int64_t nBlocks, blockId, *blockIds = NULL, codecId;
+ gmx_int64_t nBlocks, blockId, *blockIds = nullptr, codecId;
char datatype = -1;
- void *values = NULL;
+ void *values = nullptr;
double frameTime = -1.0;
int size, blockDependency;
double prec;
char datatype = -1;
gmx_int64_t codecId;
int blockDependency;
- void *data = 0;
+ void *data = nullptr;
double localPrec;
stat = tng_data_block_name_get(input, blockId, name, maxLen);