votca 2024.2-dev
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crosscorrelate.h
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1/*
2 * Copyright 2009-2020 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_TOOLS_CROSSCORRELATE_H
19#define VOTCA_TOOLS_CROSSCORRELATE_H
20
21// Standard includes
22#include <iostream>
23#include <vector>
24
25// Local VOTCA includes
26#include "datacollection.h"
27#include "eigen.h"
28#include "types.h"
29
30namespace votca {
31namespace tools {
32
37 public:
38 CrossCorrelate() = default;
39 ~CrossCorrelate() = default;
40
42
43 std::vector<double>& getData() { return corrfunc_; }
44 const std::vector<double>& getData() const { return corrfunc_; }
45
46 private:
47 std::vector<double> corrfunc_;
48};
49
50inline std::ostream& operator<<(std::ostream& out, const CrossCorrelate& c) {
51 for (Index i = 0; i < Index(c.getData().size()); i++) {
52 out << i << " " << c.getData()[i] << std::endl;
53 }
54 return out;
55}
56
57} // namespace tools
58} // namespace votca
59
60#endif // VOTCA_TOOLS_CROSSCORRELATE_H
class to calculate cross correlations and autocorrelations
const std::vector< double > & getData() const
std::vector< double > corrfunc_
std::vector< double > & getData()
void AutoCorrelate(DataCollection< double >::selection &data)
std::ostream & operator<<(std::ostream &out, const Correlate &c)
Definition correlate.h:53
base class for all analysis tools
Definition basebead.h:33
Eigen::Index Index
Definition types.h:26