[819] | 1 | // |
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| 2 | // ******************************************************************** |
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| 3 | // * License and Disclaimer * |
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| 4 | // * * |
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| 5 | // * The Geant4 software is copyright of the Copyright Holders of * |
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| 6 | // * the Geant4 Collaboration. It is provided under the terms and * |
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| 7 | // * conditions of the Geant4 Software License, included in the file * |
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| 8 | // * LICENSE and available at http://cern.ch/geant4/license . These * |
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| 9 | // * include a list of copyright holders. * |
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| 10 | // * * |
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| 11 | // * Neither the authors of this software system, nor their employing * |
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| 12 | // * institutes,nor the agencies providing financial support for this * |
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| 13 | // * work make any representation or warranty, express or implied, * |
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| 14 | // * regarding this software system or assume any liability for its * |
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| 15 | // * use. Please see the license in the file LICENSE and URL above * |
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| 16 | // * for the full disclaimer and the limitation of liability. * |
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| 17 | // * * |
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| 18 | // * This code implementation is the result of the scientific and * |
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| 19 | // * technical work of the GEANT4 collaboration. * |
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| 20 | // * By using, copying, modifying or distributing the software (or * |
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| 21 | // * any work based on the software) you agree to acknowledge its * |
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| 22 | // * use in resulting scientific publications, and indicate your * |
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| 23 | // * acceptance of all terms of the Geant4 Software license. * |
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| 24 | // ******************************************************************** |
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| 25 | // |
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| 26 | // |
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| 27 | |
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[1192] | 28 | // $Id: G4DNACrossSectionDataSet.cc,v 1.11 2009/11/12 10:05:30 sincerti Exp $ |
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[1228] | 29 | // GEANT4 tag $Name: geant4-09-03 $ |
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[819] | 30 | // |
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| 31 | // Author: Riccardo Capra <capra@ge.infn.it> |
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| 32 | // Code review by MGP October 2007: removed inheritance from concrete class |
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| 33 | // more improvements needed |
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| 34 | // |
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| 35 | // History: |
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| 36 | // ----------- |
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[1192] | 37 | // 30 Jun 2005 RC Created |
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| 38 | // 14 Oct 2007 MGP Removed inheritance from concrete class G4ShellEMDataSet |
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| 39 | // |
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| 40 | // 15 Jul 2009 N.A.Karakatsanis |
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| 41 | // |
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| 42 | // - LoadNonLogData method was created to load only the non-logarithmic data from G4EMLOW |
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| 43 | // dataset. It is essentially performing the data loading operations as in the past. |
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| 44 | // |
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| 45 | // - LoadData method was revised in order to calculate the logarithmic values of the data |
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| 46 | // It retrieves the data values from the G4EMLOW data files but, then, calculates the |
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| 47 | // respective log values and loads them to seperate data structures. |
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| 48 | // |
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| 49 | // - SetLogEnergiesData method was cretaed to set logarithmic values to G4 data vectors. |
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| 50 | // The EM data sets, initialized this way, contain both non-log and log values. |
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| 51 | // These initialized data sets can enhance the computing performance of data interpolation |
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| 52 | // operations |
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| 53 | // |
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| 54 | // |
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| 55 | // ------------------------------------------------------------------- |
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[819] | 56 | |
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| 57 | |
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| 58 | #include "G4DNACrossSectionDataSet.hh" |
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| 59 | #include "G4VDataSetAlgorithm.hh" |
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| 60 | #include "G4EMDataSet.hh" |
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| 61 | #include <vector> |
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| 62 | #include <fstream> |
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| 63 | #include <sstream> |
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| 64 | |
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| 65 | |
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| 66 | G4DNACrossSectionDataSet::G4DNACrossSectionDataSet(G4VDataSetAlgorithm* argAlgorithm, |
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| 67 | G4double argUnitEnergies, |
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| 68 | G4double argUnitData) |
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| 69 | : |
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| 70 | algorithm(argAlgorithm), unitEnergies(argUnitEnergies), unitData(argUnitData) |
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| 71 | { |
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| 72 | z = 0; |
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| 73 | |
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| 74 | } |
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| 75 | |
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| 76 | |
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| 77 | G4DNACrossSectionDataSet::~G4DNACrossSectionDataSet() |
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| 78 | { |
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| 79 | CleanUpComponents(); |
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| 80 | |
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| 81 | if (algorithm) |
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| 82 | delete algorithm; |
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| 83 | } |
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| 84 | |
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| 85 | G4bool G4DNACrossSectionDataSet::LoadData(const G4String & argFileName) |
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| 86 | { |
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| 87 | CleanUpComponents(); |
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| 88 | |
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| 89 | G4String fullFileName(FullFileName(argFileName)); |
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| 90 | std::ifstream in(fullFileName, std::ifstream::binary|std::ifstream::in); |
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| 91 | |
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| 92 | if (!in.is_open()) |
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| 93 | { |
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| 94 | G4String message("G4DNACrossSectionDataSet::LoadData - data file \""); |
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| 95 | message+=fullFileName; |
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| 96 | message+="\" not found"; |
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| 97 | G4Exception(message); |
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| 98 | return false; |
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| 99 | } |
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| 100 | |
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| 101 | std::vector<G4DataVector *> columns; |
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[1192] | 102 | std::vector<G4DataVector *> log_columns; |
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| 103 | |
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[819] | 104 | std::stringstream *stream(new std::stringstream); |
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| 105 | char c; |
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| 106 | G4bool comment(false); |
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| 107 | G4bool space(true); |
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| 108 | G4bool first(true); |
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| 109 | |
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| 110 | try |
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| 111 | { |
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| 112 | while (!in.eof()) |
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| 113 | { |
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| 114 | in.get(c); |
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| 115 | |
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| 116 | switch (c) |
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| 117 | { |
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| 118 | case '\r': |
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| 119 | case '\n': |
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| 120 | if (!first) |
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| 121 | { |
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| 122 | unsigned long i(0); |
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| 123 | G4double value; |
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| 124 | |
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| 125 | while (!stream->eof()) |
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| 126 | { |
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| 127 | (*stream) >> value; |
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| 128 | |
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| 129 | while (i>=columns.size()) |
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[1192] | 130 | { |
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| 131 | columns.push_back(new G4DataVector); |
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| 132 | log_columns.push_back(new G4DataVector); |
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| 133 | } |
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[819] | 134 | |
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| 135 | columns[i]->push_back(value); |
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[1192] | 136 | |
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| 137 | // N. A. Karakatsanis |
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| 138 | // A condition is applied to check if negative or zero values are present in the dataset. |
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| 139 | // If yes, then a near-zero value is applied to allow the computation of the logarithmic value |
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| 140 | // If a value is zero, this simplification is acceptable |
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| 141 | // If a value is negative, then it is not acceptable and the data of the particular column of |
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| 142 | // logarithmic values should not be used by interpolation methods. |
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| 143 | // |
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| 144 | // Therefore, G4LogLogInterpolation and G4LinLogLogInterpolation should not be used if negative values are present. |
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| 145 | // Instead, G4LinInterpolation is safe in every case |
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| 146 | // SemiLogInterpolation is safe only if the energy columns are non-negative |
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| 147 | // G4LinLogInterpolation is safe only if the cross section data columns are non-negative |
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| 148 | |
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| 149 | if (value <=0.) value = 1e-300; |
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| 150 | log_columns[i]->push_back(std::log10(value)); |
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[819] | 151 | |
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| 152 | i++; |
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| 153 | } |
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| 154 | |
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| 155 | delete stream; |
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| 156 | stream=new std::stringstream; |
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| 157 | } |
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| 158 | |
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| 159 | first=true; |
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| 160 | comment=false; |
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| 161 | space=true; |
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| 162 | break; |
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| 163 | |
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| 164 | case '#': |
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| 165 | comment=true; |
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| 166 | break; |
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| 167 | |
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| 168 | case '\t': |
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| 169 | c=' '; |
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| 170 | case ' ': |
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| 171 | if (space) |
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| 172 | break; |
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| 173 | default: |
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| 174 | if (comment) |
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| 175 | break; |
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| 176 | |
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| 177 | if (c==' ') |
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| 178 | space=true; |
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| 179 | else |
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| 180 | { |
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| 181 | if (space && (!first)) |
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| 182 | (*stream) << ' '; |
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| 183 | |
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| 184 | first=false; |
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| 185 | (*stream) << c; |
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| 186 | space=false; |
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| 187 | } |
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| 188 | } |
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| 189 | } |
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| 190 | } |
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| 191 | catch(const std::ios::failure &e) |
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| 192 | { |
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| 193 | // some implementations of STL could throw a "failture" exception |
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| 194 | // when read wants read characters after end of file |
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| 195 | } |
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| 196 | |
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| 197 | delete stream; |
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| 198 | |
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| 199 | std::vector<G4DataVector *>::size_type maxI(columns.size()); |
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| 200 | |
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| 201 | if (maxI<2) |
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| 202 | { |
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| 203 | G4String message("G4DNACrossSectionDataSet::LoadData - data file \""); |
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| 204 | message+=fullFileName; |
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| 205 | message+="\" should have at least two columns"; |
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| 206 | G4Exception(message); |
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| 207 | return false; |
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| 208 | } |
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| 209 | |
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| 210 | std::vector<G4DataVector*>::size_type i(1); |
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| 211 | while (i<maxI) |
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| 212 | { |
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| 213 | G4DataVector::size_type maxJ(columns[i]->size()); |
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| 214 | |
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| 215 | if (maxJ!=columns[0]->size()) |
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| 216 | { |
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| 217 | G4String message("G4DNACrossSectionDataSet::LoadData - data file \""); |
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| 218 | message+=fullFileName; |
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| 219 | message+="\" has lines with a different number of columns"; |
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| 220 | G4Exception(message); |
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| 221 | return false; |
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| 222 | } |
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| 223 | |
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| 224 | G4DataVector::size_type j(0); |
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[1192] | 225 | |
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[819] | 226 | G4DataVector *argEnergies=new G4DataVector; |
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| 227 | G4DataVector *argData=new G4DataVector; |
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[1192] | 228 | G4DataVector *argLogEnergies=new G4DataVector; |
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| 229 | G4DataVector *argLogData=new G4DataVector; |
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[819] | 230 | |
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| 231 | while(j<maxJ) |
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| 232 | { |
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| 233 | argEnergies->push_back(columns[0]->operator[] (j)*GetUnitEnergies()); |
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| 234 | argData->push_back(columns[i]->operator[] (j)*GetUnitData()); |
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[1192] | 235 | argLogEnergies->push_back(log_columns[0]->operator[] (j) + std::log10(GetUnitEnergies())); |
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| 236 | argLogData->push_back(log_columns[i]->operator[] (j) + std::log10(GetUnitData())); |
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[819] | 237 | j++; |
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| 238 | } |
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[1192] | 239 | |
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| 240 | AddComponent(new G4EMDataSet(i-1, argEnergies, argData, argLogEnergies, argLogData, GetAlgorithm()->Clone(), GetUnitEnergies(), GetUnitData())); |
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[819] | 241 | |
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[1192] | 242 | i++; |
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| 243 | } |
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| 244 | |
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| 245 | i=maxI; |
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| 246 | while (i>0) |
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| 247 | { |
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| 248 | i--; |
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| 249 | delete columns[i]; |
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| 250 | delete log_columns[i]; |
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| 251 | } |
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| 252 | |
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| 253 | return true; |
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| 254 | } |
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| 255 | |
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| 256 | |
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| 257 | G4bool G4DNACrossSectionDataSet::LoadNonLogData(const G4String & argFileName) |
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| 258 | { |
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| 259 | CleanUpComponents(); |
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| 260 | |
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| 261 | G4String fullFileName(FullFileName(argFileName)); |
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| 262 | std::ifstream in(fullFileName, std::ifstream::binary|std::ifstream::in); |
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| 263 | |
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| 264 | if (!in.is_open()) |
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| 265 | { |
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| 266 | G4String message("G4DNACrossSectionDataSet::LoadData - data file \""); |
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| 267 | message+=fullFileName; |
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| 268 | message+="\" not found"; |
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| 269 | G4Exception(message); |
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| 270 | return false; |
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| 271 | } |
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| 272 | |
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| 273 | std::vector<G4DataVector *> columns; |
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| 274 | |
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| 275 | std::stringstream *stream(new std::stringstream); |
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| 276 | char c; |
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| 277 | G4bool comment(false); |
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| 278 | G4bool space(true); |
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| 279 | G4bool first(true); |
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| 280 | |
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| 281 | try |
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| 282 | { |
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| 283 | while (!in.eof()) |
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| 284 | { |
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| 285 | in.get(c); |
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| 286 | |
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| 287 | switch (c) |
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| 288 | { |
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| 289 | case '\r': |
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| 290 | case '\n': |
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| 291 | if (!first) |
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| 292 | { |
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| 293 | unsigned long i(0); |
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| 294 | G4double value; |
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| 295 | |
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| 296 | while (!stream->eof()) |
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| 297 | { |
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| 298 | (*stream) >> value; |
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| 299 | |
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| 300 | while (i>=columns.size()) |
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| 301 | { |
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| 302 | columns.push_back(new G4DataVector); |
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| 303 | } |
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| 304 | |
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| 305 | columns[i]->push_back(value); |
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| 306 | |
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| 307 | i++; |
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| 308 | } |
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| 309 | |
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| 310 | delete stream; |
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| 311 | stream=new std::stringstream; |
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| 312 | } |
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| 313 | |
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| 314 | first=true; |
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| 315 | comment=false; |
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| 316 | space=true; |
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| 317 | break; |
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| 318 | |
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| 319 | case '#': |
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| 320 | comment=true; |
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| 321 | break; |
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| 322 | |
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| 323 | case '\t': |
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| 324 | c=' '; |
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| 325 | case ' ': |
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| 326 | if (space) |
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| 327 | break; |
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| 328 | default: |
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| 329 | if (comment) |
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| 330 | break; |
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| 331 | |
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| 332 | if (c==' ') |
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| 333 | space=true; |
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| 334 | else |
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| 335 | { |
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| 336 | if (space && (!first)) |
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| 337 | (*stream) << ' '; |
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| 338 | |
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| 339 | first=false; |
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| 340 | (*stream) << c; |
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| 341 | space=false; |
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| 342 | } |
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| 343 | } |
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| 344 | } |
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| 345 | } |
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| 346 | catch(const std::ios::failure &e) |
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| 347 | { |
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| 348 | // some implementations of STL could throw a "failture" exception |
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| 349 | // when read wants read characters after end of file |
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| 350 | } |
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| 351 | |
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| 352 | delete stream; |
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| 353 | |
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| 354 | std::vector<G4DataVector *>::size_type maxI(columns.size()); |
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| 355 | |
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| 356 | if (maxI<2) |
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| 357 | { |
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| 358 | G4String message("G4DNACrossSectionDataSet::LoadData - data file \""); |
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| 359 | message+=fullFileName; |
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| 360 | message+="\" should have at least two columns"; |
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| 361 | G4Exception(message); |
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| 362 | return false; |
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| 363 | } |
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| 364 | |
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| 365 | std::vector<G4DataVector*>::size_type i(1); |
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| 366 | while (i<maxI) |
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| 367 | { |
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| 368 | G4DataVector::size_type maxJ(columns[i]->size()); |
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| 369 | |
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| 370 | if (maxJ!=columns[0]->size()) |
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| 371 | { |
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| 372 | G4String message("G4DNACrossSectionDataSet::LoadData - data file \""); |
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| 373 | message+=fullFileName; |
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| 374 | message+="\" has lines with a different number of columns"; |
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| 375 | G4Exception(message); |
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| 376 | return false; |
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| 377 | } |
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| 378 | |
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| 379 | G4DataVector::size_type j(0); |
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| 380 | |
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| 381 | G4DataVector *argEnergies=new G4DataVector; |
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| 382 | G4DataVector *argData=new G4DataVector; |
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| 383 | |
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| 384 | while(j<maxJ) |
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| 385 | { |
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| 386 | argEnergies->push_back(columns[0]->operator[] (j)*GetUnitEnergies()); |
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| 387 | argData->push_back(columns[i]->operator[] (j)*GetUnitData()); |
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| 388 | j++; |
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| 389 | } |
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| 390 | |
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[819] | 391 | AddComponent(new G4EMDataSet(i-1, argEnergies, argData, GetAlgorithm()->Clone(), GetUnitEnergies(), GetUnitData())); |
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| 392 | |
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| 393 | i++; |
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| 394 | } |
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| 395 | |
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| 396 | i=maxI; |
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| 397 | while (i>0) |
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| 398 | { |
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| 399 | i--; |
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| 400 | delete columns[i]; |
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| 401 | } |
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| 402 | |
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| 403 | return true; |
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| 404 | } |
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| 405 | |
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| 406 | |
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| 407 | G4bool G4DNACrossSectionDataSet::SaveData(const G4String & argFileName) const |
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| 408 | { |
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| 409 | const size_t n(NumberOfComponents()); |
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| 410 | |
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| 411 | if (n==0) |
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| 412 | { |
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| 413 | G4Exception("G4EMDataSet::SaveData - expected at least one component"); |
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| 414 | return false; |
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| 415 | } |
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| 416 | |
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| 417 | G4String fullFileName(FullFileName(argFileName)); |
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| 418 | std::ofstream out(fullFileName); |
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| 419 | |
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| 420 | if (!out.is_open()) |
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| 421 | { |
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| 422 | G4String message("G4EMDataSet::SaveData - cannot open \""); |
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| 423 | message+=fullFileName; |
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| 424 | message+="\""; |
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| 425 | G4Exception(message); |
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| 426 | return false; |
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| 427 | } |
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| 428 | |
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| 429 | G4DataVector::const_iterator iEnergies(GetComponent(0)->GetEnergies(0).begin()); |
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| 430 | G4DataVector::const_iterator iEnergiesEnd(GetComponent(0)->GetEnergies(0).end()); |
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| 431 | G4DataVector::const_iterator * iData(new G4DataVector::const_iterator[n]); |
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| 432 | |
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| 433 | size_t k(n); |
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| 434 | |
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| 435 | while (k>0) |
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| 436 | { |
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| 437 | k--; |
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| 438 | iData[k]=GetComponent(k)->GetData(0).begin(); |
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| 439 | } |
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| 440 | |
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| 441 | while (iEnergies!=iEnergiesEnd) |
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| 442 | { |
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| 443 | out.precision(10); |
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| 444 | out.width(15); |
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| 445 | out.setf(std::ofstream::left); |
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| 446 | out << ((*iEnergies)/GetUnitEnergies()); |
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| 447 | |
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| 448 | k=0; |
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| 449 | |
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| 450 | while (k<n) |
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| 451 | { |
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| 452 | out << ' '; |
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| 453 | out.precision(10); |
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| 454 | out.width(15); |
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| 455 | out.setf(std::ofstream::left); |
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| 456 | out << ((*(iData[k]))/GetUnitData()); |
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| 457 | |
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| 458 | iData[k]++; |
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| 459 | k++; |
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| 460 | } |
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| 461 | |
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| 462 | out << std::endl; |
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| 463 | |
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| 464 | iEnergies++; |
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| 465 | } |
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| 466 | |
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| 467 | delete[] iData; |
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| 468 | |
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| 469 | return true; |
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| 470 | } |
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| 471 | |
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| 472 | |
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| 473 | G4String G4DNACrossSectionDataSet::FullFileName(const G4String& argFileName) const |
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| 474 | { |
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| 475 | char* path = getenv("G4LEDATA"); |
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| 476 | if (!path) |
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| 477 | G4Exception("G4DNACrossSectionDataSet::FullFileName - G4LEDATA environment variable not set"); |
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| 478 | |
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| 479 | std::ostringstream fullFileName; |
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| 480 | |
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[1192] | 481 | fullFileName << path << "/" << argFileName << ".dat"; |
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[819] | 482 | |
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| 483 | return G4String(fullFileName.str().c_str()); |
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| 484 | } |
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| 485 | |
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| 486 | |
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| 487 | G4double G4DNACrossSectionDataSet::FindValue(G4double argEnergy, G4int /* argComponentId */) const |
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| 488 | { |
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| 489 | // Returns the sum over the shells corresponding to e |
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| 490 | G4double value = 0.; |
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| 491 | |
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| 492 | std::vector<G4VEMDataSet *>::const_iterator i(components.begin()); |
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| 493 | std::vector<G4VEMDataSet *>::const_iterator end(components.end()); |
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| 494 | |
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| 495 | while (i!=end) |
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| 496 | { |
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| 497 | value+=(*i)->FindValue(argEnergy); |
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| 498 | i++; |
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| 499 | } |
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| 500 | |
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| 501 | return value; |
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| 502 | } |
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| 503 | |
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| 504 | |
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| 505 | void G4DNACrossSectionDataSet::PrintData(void) const |
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| 506 | { |
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| 507 | const size_t n(NumberOfComponents()); |
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| 508 | |
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| 509 | G4cout << "The data set has " << n << " components" << G4endl; |
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| 510 | G4cout << G4endl; |
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| 511 | |
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| 512 | size_t i(0); |
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| 513 | |
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| 514 | while (i<n) |
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| 515 | { |
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| 516 | G4cout << "--- Component " << i << " ---" << G4endl; |
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| 517 | GetComponent(i)->PrintData(); |
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| 518 | i++; |
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| 519 | } |
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| 520 | } |
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| 521 | |
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| 522 | |
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| 523 | void G4DNACrossSectionDataSet::SetEnergiesData(G4DataVector* argEnergies, |
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| 524 | G4DataVector* argData, |
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| 525 | G4int argComponentId) |
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| 526 | { |
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| 527 | G4VEMDataSet * component(components[argComponentId]); |
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| 528 | |
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| 529 | if (component) |
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| 530 | { |
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| 531 | component->SetEnergiesData(argEnergies, argData, 0); |
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| 532 | return; |
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| 533 | } |
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| 534 | |
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| 535 | std::ostringstream message; |
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| 536 | message << "G4DNACrossSectionDataSet::SetEnergiesData - component " << argComponentId << " not found"; |
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| 537 | |
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| 538 | G4Exception(message.str().c_str()); |
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| 539 | } |
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| 540 | |
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| 541 | |
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[1192] | 542 | void G4DNACrossSectionDataSet::SetLogEnergiesData(G4DataVector* argEnergies, |
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| 543 | G4DataVector* argData, |
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| 544 | G4DataVector* argLogEnergies, |
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| 545 | G4DataVector* argLogData, |
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| 546 | G4int argComponentId) |
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| 547 | { |
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| 548 | G4VEMDataSet * component(components[argComponentId]); |
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| 549 | |
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| 550 | if (component) |
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| 551 | { |
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| 552 | component->SetLogEnergiesData(argEnergies, argData, argLogEnergies, argLogData, 0); |
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| 553 | return; |
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| 554 | } |
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| 555 | |
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| 556 | std::ostringstream message; |
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| 557 | message << "G4DNACrossSectionDataSet::SetLogEnergiesData - component " << argComponentId << " not found"; |
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| 558 | |
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| 559 | G4Exception(message.str().c_str()); |
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| 560 | } |
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| 561 | |
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| 562 | |
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[819] | 563 | void G4DNACrossSectionDataSet::CleanUpComponents() |
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| 564 | { |
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| 565 | while (!components.empty()) |
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| 566 | { |
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| 567 | if (components.back()) delete components.back(); |
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| 568 | components.pop_back(); |
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| 569 | } |
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| 570 | } |
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| 571 | |
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| 572 | |
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