votca 2024.2-dev
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stdanalysis.h
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1/*
2 * Copyright 2009-2019 The VOTCA Development Team (http://www.votca.org)
3 *
4 * Licensed under the Apache License, Version 2.0 (the "License");
5 * you may not use this file except in compliance with the License.
6 * You may obtain a copy of the License at
7 *
8 * http://www.apache.org/licenses/LICENSE-2.0
9 *
10 * Unless required by applicable law or agreed to in writing, software
11 * distributed under the License is distributed on an "AS IS" BASIS,
12 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
13 * See the License for the specific language governing permissions and
14 * limitations under the License.
15 *
16 */
17
18#ifndef VOTCA_CSG_STDANALYSIS_H
19#define VOTCA_CSG_STDANALYSIS_H
20
21#include "analysistool.h"
22#include "bondedstatistics.h"
23#include <map>
24
25namespace votca {
26namespace csg {
27
28class StdAnalysis : public AnalysisTool {
29 public:
30 StdAnalysis() = default;
31 ~StdAnalysis() override = default;
32
33 void Register(std::map<std::string, AnalysisTool *> &lib) override;
34
35 void Command(BondedStatistics &bs, const std::string &cmd,
36 std::vector<std::string> &args) override;
37 void Help(const std::string &cmd, std::vector<std::string> &args) override;
38
39 void WriteValues(BondedStatistics &bs, std::vector<std::string> &args);
40 void WriteCorrelations(BondedStatistics &bs, std::vector<std::string> &args);
42 std::vector<std::string> &args);
43};
44
45} // namespace csg
46} // namespace votca
47#endif // VOTCA_CSG_STDANALYSIS_H
Class calculates data associated with bond interactions.
void Help(const std::string &cmd, std::vector< std::string > &args) override
void Register(std::map< std::string, AnalysisTool * > &lib) override
void WriteCorrelations(BondedStatistics &bs, std::vector< std::string > &args)
~StdAnalysis() override=default
void WriteValues(BondedStatistics &bs, std::vector< std::string > &args)
void Command(BondedStatistics &bs, const std::string &cmd, std::vector< std::string > &args) override
void WriteAutocorrelation(BondedStatistics &bs, std::vector< std::string > &args)
base class for all analysis tools
Definition basebead.h:33