source: src/Actions/AnalysisAction/PointCorrelationAction.cpp@ cd7a87

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Last change on this file since cd7a87 was ad011c, checked in by Frederik Heber <heber@…>, 14 years ago

CodePatterns places all includes now in subfolder CodePatterns/.

  • change all includes accordingly.
  • this was necessary as Helpers and Patterns are not very distinctive names for include folders. Already now, we had a conflict between Helpers from CodePatterns and Helpers from this project.
  • changed compilation test in ax_codepatterns.m4 when changing CodePatterns includes.
  • Property mode set to 100644
File size: 2.6 KB
RevLine 
[bcf653]1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
[d02e07]8/*
9 * PointCorrelationAction.cpp
10 *
11 * Created on: May 9, 2010
12 * Author: heber
13 */
14
[bf3817]15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
[ad011c]20#include "CodePatterns/MemDebug.hpp"
[d02e07]21
22#include "analysis_correlation.hpp"
23#include "boundary.hpp"
24#include "linkedcell.hpp"
[ad011c]25#include "CodePatterns/Verbose.hpp"
26#include "CodePatterns/Log.hpp"
[d02e07]27#include "element.hpp"
28#include "molecule.hpp"
29#include "periodentafel.hpp"
[57f243]30#include "LinearAlgebra/Vector.hpp"
[d02e07]31#include "World.hpp"
32
[146cff2]33#include <cmath>
[d02e07]34#include <iostream>
35#include <string>
36
37using namespace std;
38
[9ee38b]39#include "Actions/AnalysisAction/PointCorrelationAction.hpp"
40
41
42// and construct the stuff
43#include "PointCorrelationAction.def"
44#include "Action_impl_pre.hpp"
[d02e07]45
[9ee38b]46/** =========== define the function ====================== */
[d02e07]47Action::state_ptr AnalysisPointCorrelationAction::performCall() {
48 int ranges[3] = {1, 1, 1};
49 ofstream output;
50 ofstream binoutput;
51 string type;
52 BinPairMap *binmap = NULL;
53
54 // obtain information
[9ee38b]55 getParametersfromValueStorage();
[d02e07]56
57 // execute action
[e4afb4]58 output.open(params.outputname.string().c_str());
59 binoutput.open(params.binoutputname.string().c_str());
[9ee38b]60 cout << "Point to correlate to is " << params.Point << endl;
[d02e07]61 CorrelationToPointMap *correlationmap = NULL;
[9ee38b]62 for(std::vector<const element *>::iterator iter = params.elements.begin(); iter != params.elements.end(); ++iter)
[2fe971]63 cout << "element is " << (*iter)->getSymbol() << endl;
[e65de8]64 std::vector<molecule*> molecules = World::getInstance().getSelectedMolecules();
[9ee38b]65 if (params.periodic)
66 correlationmap = PeriodicCorrelationToPoint(molecules, params.elements, &params.Point, ranges);
[d02e07]67 else
[9ee38b]68 correlationmap = CorrelationToPoint(molecules, params.elements, &params.Point);
[d02e07]69 OutputCorrelationToPoint(&output, correlationmap);
[9ee38b]70 binmap = BinData( correlationmap, params.BinWidth, params.BinStart, params.BinEnd );
[d02e07]71 OutputCorrelation ( &binoutput, binmap );
72 delete(binmap);
73 delete(correlationmap);
74 output.close();
75 binoutput.close();
76 return Action::success;
77}
78
79Action::state_ptr AnalysisPointCorrelationAction::performUndo(Action::state_ptr _state) {
80 return Action::success;
81}
82
83Action::state_ptr AnalysisPointCorrelationAction::performRedo(Action::state_ptr _state){
84 return Action::success;
85}
86
87bool AnalysisPointCorrelationAction::canUndo() {
88 return true;
89}
90
91bool AnalysisPointCorrelationAction::shouldUndo() {
92 return true;
93}
[9ee38b]94/** =========== end of function ====================== */
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