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BaseMolecule.C File Reference

Base class for all molecules, without display-specific information. More...

#include <ctype.h>
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include "Inform.h"
#include "utilities.h"
#include "intstack.h"
#include "WKFUtils.h"
#include "BaseMolecule.h"
#include "VolumetricData.h"
#include "QMData.h"
#include "QMTimestep.h"

Go to the source code of this file.

Defines
#define	MAXBONDERRORS   25

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Detailed Description

Base class for all molecules, without display-specific information.

This portion of a molecule contains the structural data, and all routines to find the structure (backbone, residues, etc). It does NOT contain Timestep array; that is maintained by DrawMolecule (which is derived from this class).

Definition in file BaseMolecule.C.

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Define Documentation

#define MAXBONDERRORS   25

Definition at line 46 of file BaseMolecule.C. Referenced by BaseMolecule::add_bond.

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