Parameters.h File Reference

#include "parm.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

Defines

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


Define 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 31 of file Parameters.h.

#define MAX_ATOMTYPE_CHARS   6

Definition at line 71 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 68 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 77 of file Parameters.h.

Referenced by Parameters::Parameters().

#define paraXplor   0

Definition at line 76 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


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