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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 : int { Min, Max, Count }
 Enum value to store the selected value for -type.
 
enum  GroupType : int {
  All, Residue, Molecule, None,
  Count
}
 Enum value to store the selected value for -refgrouping/-selgrouping.
 

Functions

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

Variables

const EnumerationArray
< DistanceType, const char * > 
c_distanceTypeNames = { { "min", "max" } }
 Strings corresponding to DistanceType.
 
const EnumerationArray
< GroupType, const char * > 
c_groupTypeNames
 Strings corresponding to GroupType. More...