Molecule.h File Reference

#include "parm.h"
#include "common.h"
#include "NamdTypes.h"
#include "structures.h"
#include "ConfigList.h"
#include "Vector.h"
#include "UniqueSet.h"
#include "Hydrogen.h"
#include "GromacsTopFile.h"
#include "GridForceGrid.h"
#include "Tensor.h"
#include "molfile_plugin.h"
#include <vector>

Go to the source code of this file.

Classes
class	ExclusionCheck
struct	seg_resid
class	Molecule
struct	Molecule::constraint_params
struct	Molecule::gridfrc_params
struct	Molecule::stir_params
struct	Molecule::movdrag_params
struct	Molecule::rotdrag_params
struct	Molecule::constorque_params
Defines
#define	EXCHCK_FULL   1
#define	EXCHCK_MOD   2
Typedefs
typedef seg_resid	AtomSegResInfo

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Define Documentation

#define EXCHCK_FULL   1

Definition at line 89 of file Molecule.h.

#define EXCHCK_MOD   2

Definition at line 90 of file Molecule.h.

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Typedef Documentation

typedef struct seg_resid AtomSegResInfo

Referenced by buildAtomData(), and Molecule::getAtomSegResInfo().

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