Parameters.h File Reference

#include "parm.h"
#include "ReadAmberParm.h"
#include "common.h"
#include "structures.h"
#include "strlib.h"
#include "MStream.h"
#include "SimParameters.h"
#include "GromacsTopFile.h"

Go to the source code of this file.

Classes
class	BondValue
class	AngleValue
struct	four_body_consts
class	DihedralValue
class	ImproperValue
struct	CrosstermData
class	CrosstermValue
class	GromacsPairValue
class	NonbondedExclValue
struct	vdw_val
struct	indexed_vdw_pair
struct	indexed_nbthole_pair
struct	nbthole_pair_value
struct	indexed_table_pair
class	Parameters

Macros
#define	cbrt(x)   pow((double)x,(double)(1.0/3.0))
#define	MAX_MULTIPLICITY   6
#define	MAX_ATOMTYPE_CHARS   6
#define	paraXplor   0
#define	paraCharmm   1

Typedefs
typedef struct four_body_consts	FourBodyConsts
typedef struct vdw_val	VdwValue
typedef struct indexed_vdw_pair	IndexedVdwPair
typedef struct indexed_nbthole_pair	IndexedNbtholePair
typedef struct nbthole_pair_value	NbtholePairValue
typedef struct indexed_table_pair	IndexedTablePair

Macro Definition Documentation

#define cbrt

(

x

)

pow((double)x,(double)(1.0/3.0))

Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.

Definition at line 33 of file Parameters.h.

Referenced by Parameters::get_vdw_params().

#define MAX_ATOMTYPE_CHARS   6

Definition at line 73 of file Parameters.h.

Referenced by Parameters::atom_type_name(), Parameters::done_reading_files(), Parameters::receive_Parameters(), and Parameters::send_Parameters().

#define MAX_MULTIPLICITY   6

Definition at line 70 of file Parameters.h.

Referenced by Parameters::get_dihedral_params(), Parameters::get_improper_params(), operator==(), Parameters::read_parm(), Parameters::receive_Parameters(), and Parameters::send_Parameters().

#define paraCharmm   1

Definition at line 79 of file Parameters.h.

Referenced by Parameters::Parameters().

#define paraXplor   0

Definition at line 78 of file Parameters.h.

Referenced by Parameters::assign_dihedral_index(), Parameters::assign_improper_index(), and Parameters::Parameters().

Typedef Documentation

typedef struct four_body_consts FourBodyConsts

typedef struct indexed_nbthole_pair IndexedNbtholePair

typedef struct indexed_table_pair IndexedTablePair

typedef struct indexed_vdw_pair IndexedVdwPair

typedef struct nbthole_pair_value NbtholePairValue

typedef struct vdw_val VdwValue