gep1.c

来自「GESPI 2.0动态系统模拟工具 」· C语言 代码 · 共 621 行 · 第 1/2 页

#include "copyleft.h"

/*
    GEPASI - a simulator of metabolic pathways and other dynamical systems
    Copyright (C) 1989, 1992  Pedro Mendes
*/

/*************************************/
/*                                   */
/*          GWTOP - Topology         */
/*        MS-WINDOWS front end       */
/*                                   */
/*       Initialization and some     */
/*           data structures         */
/*                                   */
/*           QuickC/WIN 1.0          */
/*                                   */
/*   (include here compilers that    */
/*   compiled GWSIM successfully)    */
/*                                   */
/*************************************/


#include <windows.h>
#include <string.h>
#include <stdlib.h>
#include <stdio.h>
#include <io.h>
#include <sys\types.h>
#include <sys\stat.h>
#include "globals.h"
#include "topgvar.h"
#include "strtbl.h"
#include "gwtop.h"
#include "iotop.h"

struct kint {
		  		unsigned char nsub;
				unsigned char npro;
				unsigned char nmodf;
				unsigned char revers;
				int idx;
				LPSTR descr;
	   	    };

struct nodet{
             char item;
             unsigned char val;
             unsigned char left;
             unsigned char right;
            } ;

struct treet{
             struct nodet node[256];
             char id[64][10];
             float constant[32];
             int nnode,
                 nnum,
                 nid,
                 nsub,
                 npro,
                 nmodf,
                 nconst,
                 revers;
             char descr[64];
            } ;


GLOBALHANDLE hMetname;								/* handle to memory block w/ metname	*/
GLOBALHANDLE hStepname;								/* handle to memory block w/ stepname	*/
GLOBALHANDLE hStoiu;								/* handle to memory block w/ stoiu		*/
GLOBALHANDLE hLoop;									/* handle to memory block w/ loop		*/
GLOBALHANDLE hKtype;								/* handle to memory block w/ ktype		*/
GLOBALHANDLE hRstr;									/* handle to memory block w/ rstr		*/
GLOBALHANDLE hTree;									/* handle to memory block w/ tree		*/

char	(huge *metname)[NAME_L];					/* pointer to work with metname array	*/
char	(huge *stepname)[NAME_L];					/* metabolite names						*/
int		huge *stoiu;								/* pointer to work with metname array	*/
unsigned char (huge *loop)[MAX_STEP][MAX_MET];		/* def. of modification loops			*/
int     (huge *rstr)[MAX_STEP][MAX_MOL];			/* reaction structure					*/
char	topname[256];								/* title for the topology				*/
double	xu[MAX_MET];								/* concentrations at time t user		*/
int		intmet[MAX_MET];							/* 1 if internal metabolite				*/
unsigned char	revers[MAX_STEP];					/* 1 if reaction is reversible			*/
int		kinetu[MAX_STEP];							/* type of kinetics (user numb.)		*/
int		kfl[MAX_STEP];								/* flags for input of user-def.kinetics */
unsigned char	nmod[MAX_STEP];						/* number of assigned modfs of a react.	*/
struct	kint huge *ktype;							/* ptr array of kinetic types & proprt	*/
double	endtime;									/* time value for last iteration		*/
double	hrcz;										/* highest rate considered zero			*/
double	dft_endtime;								/* time value for last iteration		*/
double	dft_hrcz;									/* highest rate considered zero			*/
float	ver_no;										/* .top and .sim version number			*/
int		totmet;										/* number of total metabolites			*/
int		nmetab;										/* number of internal metabolites		*/
int		nsteps;										/* number of steps                		*/
int		nloops;										/* number of modifier loops             */
int		nrateq;										/* number of kinetic types in the datab */
int		newtree;									/* 1 if user added kinetic new types	*/
int		nudf;										/* number of user-defined kin. types	*/
int		debugval;									/* debug mode							*/
int		dft_debugval;								/* debug mode							*/
int		options;									/* various options						*/
struct	treet huge *tree;							/* function tree for rate equations		*/
struct	treet tr;									/* tree for the input					*/

/* Initialization of GEPASI's variables */

int InitGepasiVar( void )
{
 int i, j;

 hMetname = GlobalAlloc( GMEM_MOVEABLE | GMEM_ZEROINIT, (DWORD) MAX_MET * NAME_L * sizeof( char ) );
 if( hMetname == NULL ) return -1;

 hStepname = GlobalAlloc( GMEM_MOVEABLE | GMEM_ZEROINIT, (DWORD) MAX_STEP * NAME_L * sizeof( char ) );
 if( hStepname == NULL )
 {
  GlobalFree( hMetname );
  return -1;
 }

 hStoiu = GlobalAlloc( GMEM_MOVEABLE | GMEM_ZEROINIT, (DWORD) MAX_MET * MAX_STEP * sizeof( int ) );
 if( hStoiu == NULL )
 {
  GlobalFree( hMetname );
  GlobalFree( hStepname );
  return -1;
 }

 hLoop = GlobalAlloc( GMEM_MOVEABLE | GMEM_ZEROINIT, (DWORD) MAX_STEP * MAX_MET * sizeof( unsigned char ) );
 if( hLoop == NULL )
 {
  GlobalFree( hMetname );
  GlobalFree( hStepname );
  GlobalFree( hStoiu );
  return -1;
 }

 hKtype = GlobalAlloc( GMEM_MOVEABLE | GMEM_ZEROINIT, (DWORD) MAX_TYP * sizeof( struct kint ) );
 if( hKtype == NULL )
 {
  GlobalFree( hMetname );
  GlobalFree( hStepname );
  GlobalFree( hStoiu );
  GlobalFree( hLoop );
  return -1;
 }

 hRstr = GlobalAlloc( GMEM_MOVEABLE | GMEM_ZEROINIT, (DWORD) MAX_MOL * MAX_STEP * sizeof( int ) );
 if( hRstr == NULL )
 {
  GlobalFree( hMetname );
  GlobalFree( hStepname );
  GlobalFree( hStoiu );
  GlobalFree( hLoop );
  GlobalFree( hKtype );
  return -1;
 }

 nudf = 0;
 hTree = GlobalAlloc( GMEM_MOVEABLE | GMEM_ZEROINIT, (DWORD) sizeof( struct treet ) );
 if( hTree == NULL )
 {
  GlobalFree( hMetname );
  GlobalFree( hStepname );
  GlobalFree( hStoiu );
  GlobalFree( hLoop );
  GlobalFree( hKtype );
  GlobalFree( hRstr );
  return -1;
 }

 metname	= ( char (huge *)[NAME_L] ) GlobalLock( hMetname );
 stepname	= ( char (huge *)[NAME_L] ) GlobalLock( hStepname );
 stoiu		= ( int huge * ) GlobalLock( hStoiu );
 loop		= ( unsigned char (huge *)[MAX_STEP][MAX_MET] ) GlobalLock( hLoop );
 ktype		= ( struct kint huge * ) GlobalLock( hKtype );
 rstr		= ( int (huge *)[MAX_STEP][MAX_MOL] ) GlobalLock( hRstr );
 tree		= ( struct treet huge * ) GlobalLock( hTree );

 newtree = 0;

 for( i=0; i<MAX_MET; i++ ) intmet[i] = 1;			/* set all metb. to be internal	*/
 totmet = nmetab = nsteps = 0;						/* clear no. of metb. and steps	*/

 nrateq = MAX_TYP;                                  /* set the no. of kinetic types */
 ktype[NOT].nsub = 0;								/* init info of kinetic types	*/
 ktype[NOT].npro = 0;
 ktype[NOT].revers = -1;
 ktype[NOT].nmodf = 0;
 ktype[NOT].descr = (LPSTR) "<not defined>";
 ktype[I01].nsub = 0;
 ktype[I01].npro = 0;
 ktype[I01].revers = 0;
 ktype[I01].nmodf = 0;
 ktype[I01].descr = (LPSTR) "constant rate";
 ktype[I10].nsub = 20;
 ktype[I10].npro = 20;
 ktype[I10].revers = 0;
 ktype[I10].nmodf = 0;
 ktype[I10].descr = (LPSTR) "no type";
 ktype[I11].nsub = 1;
 ktype[I11].npro = 1;
 ktype[I11].revers = 0;
 ktype[I11].nmodf = 0;
 ktype[I11].descr = (LPSTR) "mass action";
 ktype[R11].nsub = 1;
 ktype[R11].npro = 1;
 ktype[R11].revers = 1;
 ktype[R11].nmodf = 0;
 ktype[R11].descr = (LPSTR) ktype[I11].descr;
 ktype[I21].nsub = 2;
 ktype[I21].npro = 1;
 ktype[I21].revers = 0;
 ktype[I21].nmodf = 0;
 ktype[I21].descr = (LPSTR) ktype[I11].descr;
 ktype[R21].nsub = 2;
 ktype[R21].npro = 1;
 ktype[R21].revers = 1;
 ktype[R21].nmodf = 0;
 ktype[R21].descr = (LPSTR) ktype[I11].descr;
 ktype[I12].nsub = 1;
 ktype[I12].npro = 2;
 ktype[I12].revers = 0;
 ktype[I12].nmodf = 0;
 ktype[I12].descr = (LPSTR) ktype[I11].descr;
 ktype[R12].nsub = 1;
 ktype[R12].npro = 2;
 ktype[R12].revers = 1;
 ktype[R12].nmodf = 0;
 ktype[R12].descr = (LPSTR) ktype[I11].descr;
 ktype[I31].nsub = 3;
 ktype[I31].npro = 1;
 ktype[I31].revers = 0;
 ktype[I31].nmodf = 0;
 ktype[I31].descr = (LPSTR) ktype[I11].descr;
 ktype[R31].nsub = 3;
 ktype[R31].npro = 1;
 ktype[R31].revers = 1;
 ktype[R31].nmodf = 0;
 ktype[R31].descr = (LPSTR) ktype[I11].descr;
 ktype[I13].nsub = 1;
 ktype[I13].npro = 3;
 ktype[I13].revers = 0;
 ktype[I13].nmodf = 0;
 ktype[I13].descr = (LPSTR) ktype[I11].descr;
 ktype[R13].nsub = 1;
 ktype[R13].npro = 3;
 ktype[R13].revers = 1;
 ktype[R13].nmodf = 0;
 ktype[R13].descr = (LPSTR) ktype[I11].descr;
 ktype[I22].nsub = 2;
 ktype[I22].npro = 2;
 ktype[I22].revers = 0;
 ktype[I22].nmodf = 0;
 ktype[I22].descr = (LPSTR) ktype[I11].descr;
 ktype[R22].nsub = 2;
 ktype[R22].npro = 2;
 ktype[R22].revers = 1;
 ktype[R22].nmodf = 0;
 ktype[R22].descr = (LPSTR) ktype[I11].descr;
 ktype[I32].nsub = 3;
 ktype[I32].npro = 2;
 ktype[I32].revers = 0;
 ktype[I32].nmodf = 0;
 ktype[I32].descr = (LPSTR) ktype[I11].descr;
 ktype[R32].nsub = 3;
 ktype[R32].npro = 2;
 ktype[R32].revers = 1;
 ktype[R32].nmodf = 0;
 ktype[R32].descr = (LPSTR) ktype[I11].descr;
 ktype[I23].nsub = 2;
 ktype[I23].npro = 3;
 ktype[I23].revers = 0;
 ktype[I23].nmodf = 0;
 ktype[I23].descr = (LPSTR) ktype[I11].descr;
 ktype[R23].nsub = 2;
 ktype[R23].npro = 3;
 ktype[R23].revers = 1;
 ktype[R23].nmodf = 0;
 ktype[R23].descr = (LPSTR) ktype[I11].descr;
 ktype[I33].nsub = 3;
 ktype[I33].npro = 3;
 ktype[I33].revers = 0;
 ktype[I33].nmodf = 0;
 ktype[I33].descr = (LPSTR) ktype[I11].descr;
 ktype[R33].nsub = 3;
 ktype[R33].npro = 3;
 ktype[R33].revers = 1;
 ktype[R33].nmodf = 0;
 ktype[R33].descr = (LPSTR) ktype[I11].descr;
 ktype[IMM].nsub = 1;
 ktype[IMM].npro = 1;
 ktype[IMM].revers = 0;
 ktype[IMM].nmodf = 0;
 ktype[IMM].descr = (LPSTR) "Michaelis-Menten";
 ktype[RMM].nsub = 1;
 ktype[RMM].npro = 1;
 ktype[RMM].revers = 1;
 ktype[RMM].nmodf = 0;
 ktype[RMM].descr = (LPSTR) "reversible Michaelis-Menten";
 ktype[PSI].nsub = 1;
 ktype[PSI].npro = 1;
 ktype[PSI].revers = 1;
 ktype[PSI].nmodf = 1;
 ktype[PSI].descr = (LPSTR) "specific inhibition";
 ktype[PCI].nsub = 1;
 ktype[PCI].npro = 1;
 ktype[PCI].revers = 1;