BALL: chargeRuleProcessor.h Source File

00001 // -*- Mode: C++; tab-width: 2; -*-
00002 // vi: set ts=2:
00003 //
00004 // $Id: chargeRuleProcessor.h,v 1.14 2005/12/23 17:01:51 amoll Exp $
00005 //
00006 
00007 // Molecular Mechanics: rule-based assignment of charges 
00008 
00009 #ifndef BALL_MOLMEC_COMMON_CHARGERULEPROCESSOR_H
00010 #define BALL_MOLMEC_COMMON_CHARGERULEPROCESSOR_H
00011 
00012 #ifndef BALL_MOLMEC_COMMON_RULEPROCESSOR_H
00013 # include <BALL/MOLMEC/COMMON/ruleProcessor.h>
00014 #endif
00015 
00016 namespace BALL 
00017 {
00022   class BALL_EXPORT ChargeRuleProcessor
00023     : public RuleProcessor
00024   {
00025     public:
00026 
00027     BALL_CREATE(ChargeRuleProcessor)
00028 
00029     
00032 
00035     ChargeRuleProcessor();
00036       
00039     ChargeRuleProcessor(INIFile& file, const String& prefix = "ChargeRules");
00040       
00043     ChargeRuleProcessor(const ChargeRuleProcessor& rule_processor);
00044 
00047     ~ChargeRuleProcessor();
00048 
00050 
00053 
00056     virtual Processor::Result operator () (Atom& atom);
00057     
00059 
00060   };
00061 } // namespace BALL
00062 
00063 
00064 #endif // BALL_MOLMEC_COMMON_CHARGERULEPROCESSOR_H