ChemGroup Class Reference

Class to define Chemical(Functional) Atom Group object. More...

#include <haatgroup.h>

Inheritance diagram for ChemGroup:

List of all members.

Public Member Functions
	ChemGroup (HaMolSet *new_phost_mset, const char *new_id="")
bool	FillRef (char *buf) const
	Fill Text Reference of the group.
double	GetProtect () const
	return screening factor
bool	SetProtect (const double new_protect)
bool	Print_info (ostream &sout, const int level) const
Static Public Member Functions
HaString	GetIDFromRef (const HaString &buf)
Protected Attributes
HaMolSet *	phost_mset
double	protect
Friends
class	HaMolSet

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Detailed Description

Class to define Chemical(Functional) Atom Group object.

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The documentation for this class was generated from the following files:

• haatgroup.h
• haatgroup.cpp

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