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AtomRep.h File Reference

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Compounds

class AtomRep
Parse and maintain the data for how a molecule should be represented. More...

struct AtomRepDataInfo
define which slots are used for a rep style, and their default values. More...

struct AtomRepParamStruct
structure definition for structures used to define what data each rep needs. More...


Defines

#define DEFAULT_ATOMREP AtomRep::LINES
#define MAX_ATOMREP_CMD 255
#define MAX_ATOMREP_DATA 15

Variables

const AtomRepParamStruct AtomRepInfo [AtomRep::TOTAL]

Define Documentation

#define DEFAULT_ATOMREP AtomRep::LINES

Definition at line 26 of file AtomRep.h.

Referenced by AtomRep::AtomRep, and MoleculeList::MoleculeList.

#define MAX_ATOMREP_CMD 255

Definition at line 27 of file AtomRep.h.

#define MAX_ATOMREP_DATA 15

Definition at line 28 of file AtomRep.h.

Referenced by AtomRep::AtomRep, and AtomRep::operator=.

Variable Documentation

const AtomRepParamStruct AtomRepInfo[AtomRep::TOTAL]

Definition at line 144 of file AtomRep.h.

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