FOX/ObjCryst++  2022
ObjCryst::Crystal::InterMolDistPar Struct Reference

Public Member Functions

 InterMolDistPar (const vector< string > At1, const vector< string > At2, const REAL actualDist, const REAL dist, const REAL sigma, const REAL delta)
 
string get_list_At1 ()
 
string get_list_At2 ()
 
void set_At2 (string atom_names)
 

Public Attributes

vector< string > mAt1
 
vector< int > mAt1Indexes
 
vector< DistTableInternalPositionvUniqueIndexAt1
 
vector< string > mAt2
 
vector< int > mAt2Indexes
 
vector< DistTableInternalPositionvPosAt2
 
vector< NeighbourHoodmNbh
 
REAL mActDist
 
REAL mDist2
 
REAL mSig
 
REAL mDelta
 

Detailed Description

Definition at line 380 of file Crystal.h.


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