molecule.cpp File Reference

#include "haconst.h"
#include <stdlib.h>
#include <string.h>
#include <ctype.h>
#include <stdio.h>
#include <math.h>
#include "hamolecule.h"
#include "hamolview.h"
#include "command.h"
#include "abstree.h"
#include "harlemapp.h"

Defines
#define	MOLECULE
#define	HBondPool   32
#define	NoLadder   0x00
#define	ParaLadder   0x01
#define	AntiLadder   0x02
#define	Cos70Deg   0.34202014332567
#define	MinBondDist   0.16
#define	AbsMaxBondDist   (2.4/BOHR_TO_ANG)
#define	QConst   (-52700.6)
#define	MaxHDist   (9.0*9.0)/(BOHR_TO_ANG*BOHR_TO_ANG)
#define	MinHDist   (0.5*0.5)/(BOHR_TO_ANG*BOHR_TO_ANG)

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Detailed Description

functions of HaMolecule class in HARLEM

Author:

Igor Kurnikov

Date:

1997-2002

based on RasMol2 Molecular Graphics Roger Sayle, August 1995 Version 2.6

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