gmx::analysismodules::anonymous_namespace{pairdist.cpp} Namespace Reference

Classes
class	PairDistance
	Implements gmx pairdist trajectory analysis module. More...
class	PairDistanceModuleData
	Temporary memory for use within a single-frame calculation. More...

Enumerations
enum	DistanceType { eDistanceType_Min, eDistanceType_Max }
	Enum value to store the selected value for -type.
enum	GroupType { eGroupType_All, eGroupType_Residue, eGroupType_Molecule, eGroupType_None }
	Enum value to store the selected value for -refgrouping/-selgrouping.

Functions
int	initSelectionGroups (Selection *sel, t_topology *top, int type)
	Helper function to initialize the grouping for a selection.

Variables
const char *const	c_distanceTypes [] = { "min", "max" }
	Strings corresponding to DistanceType.
const char *const	c_groupTypes [] = { "all", "res", "mol", "none" }
	Strings corresponding to GroupType.