haconst.h

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#if !defined(HACONST_H)
#define HACONST_H

#ifndef True
const int True = 1;
const int False = 0;
#endif

#ifndef TRUE
#define TRUE 1
#endif

#ifndef FALSE
#define FALSE  0
#endif

#ifndef PI   /* Avoid Linux Warnings! */
const double PI = 3.14159265358979323846;
#endif

const double BOHR_TO_ANG       = 0.529177249;    
const double HARTREE_TO_EV     = 27.21121;       
const double HARTREE_TO_KT     = 1059.642;       
const double HARTREE_TO_JOULES = 4.3597482e-18;  
const double AU_TO_KG          = 1.6605402e-27;  

const double EV_TO_KT       = HARTREE_TO_KT/HARTREE_TO_EV;    
const double AVOG_NUM       = 6.0221367e+23;  
const double CAL_TO_JOULES  = 4.184;          
const double PLANCK         = 6.6260755e-34;  
const double LIGHT_SPEED_CM = 2.99792458e+10; 
const double BOLTZ          = 1.380658e-23;   

const double HARTREE_TO_KCAL=  AVOG_NUM*HARTREE_TO_JOULES/(1000.0*CAL_TO_JOULES);
const double KT_300_KCAL = 300.0 * BOLTZ * AVOG_NUM/(1000.0*CAL_TO_JOULES); 

typedef unsigned char Byte;
typedef int Long;
typedef int int_4;
typedef unsigned int uint_4;
typedef char int_1;
typedef unsigned char uint_1;
typedef short int_2;
  
typedef int Subscript;

// TNT MACROS:

#define TNT_BASE_OFFSET (1)

//---------------------------------------------------------------------
// Define this macro if you want  TNT to ensure all refernces
// are within the bounds of the array.  This encurs a run-time
// overhead, of course, but is recommended while developing
// code.  It can be turned off for production runs.
// 
//       #define TNT_BOUNDS_CHECK
//---------------------------------------------------------------------
//
#define TNT_BOUNDS_CHECK
#ifdef TNT_NO_BOUNDS_CHECK
#undef TNT_BOUNDS_CHECK
#endif

//---------------------------------------------------------------------
// Define this macro if you want to utilize matrix and vector
// regions.  This is typically on, but you can save some
// compilation time by turning it off.  If you do this and
// attempt to use regions you will get an error message.
//
//       #define TNT_USE_REGIONS
//---------------------------------------------------------------------
//
#define TNT_USE_REGIONS

const double Rad2Deg =   180.0/PI;
const double Deg2Rad =   PI/180.0;
#define AbsFun(a)    (((a)<0)? -(a) : (a))
#define MinFun(a,b)  (((a)<(b))? (a) : (b) )
#define MaxFun(a,b)  (((a)>(b))? (a) : (b) )


#if defined(_MSC_VER) || defined(__DECCXX) || defined(GNU)
#define _fmalloc   malloc
#define _ffree     free
#define _fstrcmp   strcmp
#define _fmemset   memset
#endif

#if defined(_MSC_VER)
#define _fstrnicmp strnicmp
#endif

enum RunMode{ RUN_FOREGROUND=0, RUN_BACKGROUND=1 };  

const int ItemCount = 8;
const int AdvPickAtom = 0;
const int AdvPickNumber = 1;
const int AdvSelectCount = 2;
const int AdvName        = 3;
const int AdvIdent       = 4;
const int AdvClass       = 5;
const int AdvImage       = 6;
const int AdvPickCoord   = 7;


#endif /* !defined(HACONST_H) */

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