gmx_help_make_index_group Struct Reference

Description

Data necessary to construct a single (protein) index group in analyse_prot().

Public Attributes
const char **	defining_atomnames
	The set of atom names that will be used to form this index group.
int	num_defining_atomnames
	Size of the defining_atomnames array.
const char *	group_name
	Name of this index group.
gmx_bool	bTakeComplement
	Whether the above atom names name the atoms in the group, or those not in the group.
int	wholename
	The index in wholename gives the first item in the arrays of atomnames that should be tested with 'gmx_strncasecmp' in stead of gmx_strcasecmp, or -1 if all items should be tested with strcasecmp This is comparable to using a '*' wildcard at the end of specific atom names, but that is more involved to implement...
int	compareto
	Only create this index group if it differs from the one specified in compareto, where -1 means to always create this group. More...

Member Data Documentation

int gmx_help_make_index_group::compareto

Only create this index group if it differs from the one specified in compareto, where -1 means to always create this group.

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The documentation for this struct was generated from the following file:

• src/gromacs/topology/index.cpp