mirror of https://github.com/lammps/lammps.git
93 lines
3.0 KiB
C++
93 lines
3.0 KiB
C++
/* ----------------------------------------------------------------------
|
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
http://lammps.sandia.gov, Sandia National Laboratories
|
|
Steve Plimpton, sjplimp@sandia.gov
|
|
|
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
certain rights in this software. This software is distributed under
|
|
the GNU General Public License.
|
|
|
|
See the README file in the top-level LAMMPS directory.
|
|
------------------------------------------------------------------------- */
|
|
|
|
#ifndef LMP_VARIABLE_H
|
|
#define LMP_VARIABLE_H
|
|
|
|
#include "pointers.h"
|
|
|
|
namespace LAMMPS_NS {
|
|
|
|
class Variable : protected Pointers {
|
|
public:
|
|
Variable(class LAMMPS *);
|
|
~Variable();
|
|
void set(int, char **);
|
|
void set(char *, int, char **);
|
|
int next(int, char **);
|
|
int find(char *);
|
|
int equalstyle(int);
|
|
int atomstyle(int);
|
|
char *retrieve(char *);
|
|
double compute_equal(int);
|
|
void compute_atom(int, int, double *, int, int);
|
|
int int_between_brackets(char *&);
|
|
double evaluate_boolean(char *);
|
|
|
|
private:
|
|
int me;
|
|
int nvar; // # of defined variables
|
|
int maxvar; // max # of variables arrays can hold
|
|
char **names; // name of each variable
|
|
int *style; // style of each variable
|
|
int *num; // # of values for each variable
|
|
int *which; // next available value for each variable
|
|
int *pad; // 1 = pad loop/uloop variables with 0s, 0 = no pad
|
|
char ***data; // str value of each variable's values
|
|
double PI;
|
|
|
|
class RanMars *randomequal; // random number generator for equal-style vars
|
|
class RanMars *randomatom; // random number generator for atom-style vars
|
|
|
|
int precedence[16]; // precedence level of math operators
|
|
// set length to include OR in enum
|
|
|
|
struct Tree { // parse tree for atom-style variables
|
|
double value;
|
|
double *array;
|
|
int *iarray;
|
|
int type;
|
|
int nstride;
|
|
int ivalue1,ivalue2;
|
|
Tree *left,*middle,*right;
|
|
};
|
|
|
|
void remove(int);
|
|
void extend();
|
|
void copy(int, char **, char **);
|
|
double evaluate(char *, Tree **);
|
|
double collapse_tree(Tree *);
|
|
double eval_tree(Tree *, int);
|
|
void free_tree(Tree *);
|
|
int find_matching_paren(char *, int, char *&);
|
|
int math_function(char *, char *, Tree **, Tree **, int &, double *, int &);
|
|
int group_function(char *, char *, Tree **, Tree **, int &, double *, int &);
|
|
int region_function(char *);
|
|
int special_function(char *, char *, Tree **, Tree **,
|
|
int &, double *, int &);
|
|
void peratom2global(int, char *, double *, int, int,
|
|
Tree **, Tree **, int &, double *, int &);
|
|
int is_atom_vector(char *);
|
|
void atom_vector(char *, Tree **, Tree **, int &);
|
|
int is_constant(char *);
|
|
double constant(char *);
|
|
double numeric(char *);
|
|
int inumeric(char *);
|
|
char *find_next_comma(char *);
|
|
void print_tree(Tree *, int);
|
|
};
|
|
|
|
}
|
|
|
|
#endif
|