00001 /*************************************************************************************************** 00002 ***** Copyright (C) 2005 John Schneiderman <JohnMS@member.fsf.org> ***** 00003 ***** ***** 00004 ***** This program is free software; you can redistribute it and/or modify ***** 00005 ***** it under the terms of the GNU General Public License as published by ***** 00006 ***** the Free Software Foundation; either version 2 of the License, or ***** 00007 ***** (at your option) any later version. ***** 00008 ***** ***** 00009 ***** This program is distributed in the hope that it will be useful, ***** 00010 ***** but WITHOUT ANY WARRANTY; without even the implied warranty of ***** 00011 ***** MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the ***** 00012 ***** GNU General Public License for more details. ***** 00013 ***** ***** 00014 ***** You should have received a copy of the GNU General Public License ***** 00015 ***** along with this program; if not, write to the Free Software ***** 00016 ***** Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA ***** 00017 ***************************************************************************************************/ 00018 #ifndef PEHIST_H 00019 #define PEHIST_H 00020 #include "basehistogram.h" 00021 00022 #include <string> 00023 using std::string; 00024 00025 class ConfigurationDatabase; 00026 class Cluster; 00027 00033 class PotentialEnergyHistogram: public BaseHistogram 00034 { 00035 public: 00040 PotentialEnergyHistogram(const ConfigurationDatabase &conf); 00045 virtual void acquire(const Cluster& cluster); 00051 virtual void write(int numAtoms, string base_name); 00052 }; 00053 #endif // PEHIST_H
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