| [bcf653] | 1 | /* | 
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|  | 2 | * Project: MoleCuilder | 
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|  | 3 | * Description: creates and alters molecular systems | 
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| [0aa122] | 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
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| [94d5ac6] | 5 | * | 
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|  | 6 | * | 
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|  | 7 | *   This file is part of MoleCuilder. | 
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|  | 8 | * | 
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|  | 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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|  | 10 | *    it under the terms of the GNU General Public License as published by | 
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|  | 11 | *    the Free Software Foundation, either version 2 of the License, or | 
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|  | 12 | *    (at your option) any later version. | 
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|  | 13 | * | 
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|  | 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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|  | 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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|  | 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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|  | 17 | *    GNU General Public License for more details. | 
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|  | 18 | * | 
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|  | 19 | *    You should have received a copy of the GNU General Public License | 
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|  | 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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| [bcf653] | 21 | */ | 
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|  | 22 |  | 
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| [f5a86a] | 23 | /* | 
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|  | 24 | * Dialog.cpp | 
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|  | 25 | * | 
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|  | 26 | *  Created on: Jan 5, 2010 | 
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|  | 27 | *      Author: crueger | 
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|  | 28 | */ | 
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|  | 29 |  | 
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| [bf3817] | 30 | // include config.h | 
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|  | 31 | #ifdef HAVE_CONFIG_H | 
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|  | 32 | #include <config.h> | 
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|  | 33 | #endif | 
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|  | 34 |  | 
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| [ad011c] | 35 | #include "CodePatterns/MemDebug.hpp" | 
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| [112b09] | 36 |  | 
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| [5079a0] | 37 | #include "Dialog.hpp" | 
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| [f5a86a] | 38 |  | 
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| [ad011c] | 39 | #include "CodePatterns/Log.hpp" | 
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|  | 40 | #include "CodePatterns/Verbose.hpp" | 
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| [8df74d] | 41 |  | 
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| [e45c1d] | 42 | #include "Parameters/ParameterExceptions.hpp" | 
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|  | 43 |  | 
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| [8df74d] | 44 | class Atom; | 
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|  | 45 | class element; | 
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| [cca9ef] | 46 | class RealSpaceMatrix; | 
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| [8df74d] | 47 | class molecule; | 
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|  | 48 | class Vector; | 
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| [2ededc2] | 49 |  | 
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| [f5a86a] | 50 | using namespace std; | 
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|  | 51 |  | 
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|  | 52 | Dialog::Dialog() | 
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|  | 53 | { | 
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|  | 54 | } | 
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|  | 55 |  | 
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|  | 56 | Dialog::~Dialog() | 
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|  | 57 | { | 
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| [45f5d6] | 58 | list<Query*>::iterator iter; | 
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|  | 59 | for(iter=queries.begin();iter!=queries.end();iter++){ | 
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|  | 60 | delete (*iter); | 
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|  | 61 | } | 
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| [f5a86a] | 62 | } | 
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|  | 63 |  | 
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| [45f5d6] | 64 | void Dialog::registerQuery(Query *query){ | 
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|  | 65 | queries.push_back(query); | 
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|  | 66 | } | 
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| [f5a86a] | 67 |  | 
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| [45f5d6] | 68 | bool Dialog::display(){ | 
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| [852ea3] | 69 | handleAll(); | 
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| [d3a5ea] | 70 | if(checkAll()){ | 
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|  | 71 | setAll(); | 
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|  | 72 | return true; | 
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|  | 73 | } | 
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|  | 74 | else{ | 
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|  | 75 | return false; | 
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|  | 76 | } | 
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|  | 77 | } | 
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|  | 78 |  | 
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| [852ea3] | 79 | void Dialog::handleAll(){ | 
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| [45f5d6] | 80 | list<Query*>::iterator iter; | 
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|  | 81 | for(iter=queries.begin(); iter!=queries.end(); iter++){ | 
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| [852ea3] | 82 | try{ | 
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|  | 83 | (*iter)->handle(); | 
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|  | 84 | }catch(...){ | 
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|  | 85 | // if any query fails (is canceled), we can end the handling process | 
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|  | 86 | ELOG(1, "The following query failed: " << (**iter).getTitle() << "."); | 
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| [e45c1d] | 87 | break; | 
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|  | 88 | } | 
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| [852ea3] | 89 | } | 
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|  | 90 | } | 
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|  | 91 |  | 
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|  | 92 | bool Dialog::checkAll(){ | 
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|  | 93 | list<Query*>::iterator iter; | 
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|  | 94 | bool retval = true; | 
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|  | 95 | for(iter=queries.begin(); iter!=queries.end(); iter++){ | 
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|  | 96 | retval &= (*iter)->isValid(); | 
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| [45f5d6] | 97 | // if any query fails (is canceled), we can end the handling process | 
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| [94d131] | 98 | if(!retval) { | 
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| [47d041] | 99 | ELOG(1, "The following query failed: " << (**iter).getTitle() << "."); | 
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| [45f5d6] | 100 | break; | 
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| [94d131] | 101 | } | 
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| [45f5d6] | 102 | } | 
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|  | 103 | return retval; | 
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| [f5a86a] | 104 | } | 
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|  | 105 |  | 
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| [d3a5ea] | 106 | void Dialog::setAll(){ | 
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|  | 107 | list<Query*>::iterator iter; | 
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|  | 108 | for(iter=queries.begin(); iter!=queries.end(); iter++) { | 
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| [e45c1d] | 109 | try { | 
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|  | 110 | (*iter)->setResult(); | 
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|  | 111 | } catch (ParameterException &e) { | 
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|  | 112 | if( const std::string *name=boost::get_error_info<ParameterName>(e) ) | 
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|  | 113 | ELOG(1, "The following parameter value is not valid: " << *name << "."); | 
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|  | 114 | break; | 
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|  | 115 | } | 
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| [d3a5ea] | 116 | } | 
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|  | 117 | } | 
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|  | 118 |  | 
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| [c508ef5] | 119 | bool Dialog::hasQueries(){ | 
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|  | 120 | return queries.size(); | 
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|  | 121 | } | 
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|  | 122 |  | 
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| [1c55b8] | 123 | /*template <> void Dialog::query<Dialog::EmptyType>(Parameter<Dialog::EmptyType> ¶m, const char *token, std::string description) | 
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| [9ee38b] | 124 | { | 
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| [1c55b8] | 125 | queryEmpty(param, token, description); | 
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|  | 126 | }*/ | 
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| [9ee38b] | 127 |  | 
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| [f10b0c] | 128 | template <> void Dialog::query<bool>(Parameter<bool> ¶m, const char *token, std::string description) | 
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| [9ee38b] | 129 | { | 
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| [f10b0c] | 130 | queryBoolean(param, token, description); | 
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| [9ee38b] | 131 | } | 
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|  | 132 |  | 
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| [f10b0c] | 133 | template <> void Dialog::query<int>(Parameter<int> ¶m, const char *token, std::string description) | 
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| [9ee38b] | 134 | { | 
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| [f10b0c] | 135 | queryInt(param, token, description); | 
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| [9ee38b] | 136 | } | 
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|  | 137 |  | 
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| [f10b0c] | 138 | template <> void Dialog::query< std::vector<int> >(Parameter<std::vector<int> > ¶m, const char *token, std::string description) | 
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| [9ee38b] | 139 | { | 
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| [f10b0c] | 140 | queryInts(param, token, description); | 
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| [9ee38b] | 141 | } | 
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|  | 142 |  | 
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| [f10b0c] | 143 | template <> void Dialog::query<unsigned int>(Parameter<unsigned int> ¶m, const char *token, std::string description) | 
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| [838cd0] | 144 | { | 
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| [f10b0c] | 145 | queryUnsignedInt(param, token, description); | 
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| [838cd0] | 146 | } | 
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|  | 147 |  | 
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| [f10b0c] | 148 | template <> void Dialog::query< std::vector<unsigned int> >(Parameter<std::vector<unsigned int> > ¶m, const char *token, std::string description) | 
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| [12948c] | 149 | { | 
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| [f10b0c] | 150 | queryUnsignedInts(param, token, description); | 
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| [12948c] | 151 | } | 
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|  | 152 |  | 
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| [f10b0c] | 153 | template <> void Dialog::query<double>(Parameter<double> ¶m, const char *token, std::string description) | 
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| [9ee38b] | 154 | { | 
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| [f10b0c] | 155 | queryDouble(param, token, description); | 
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| [9ee38b] | 156 | } | 
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|  | 157 |  | 
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| [f10b0c] | 158 | template <> void Dialog::query< std::vector<double> >(Parameter<std::vector<double> > ¶m, const char *token, std::string description) | 
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| [9ee38b] | 159 | { | 
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| [f10b0c] | 160 | queryDoubles(param, token, description); | 
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| [9ee38b] | 161 | } | 
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|  | 162 |  | 
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| [f10b0c] | 163 | template <> void Dialog::query<std::string>(Parameter<std::string> ¶m, const char *token, std::string description) | 
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| [9ee38b] | 164 | { | 
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| [f10b0c] | 165 | queryString(param, token, description); | 
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| [9ee38b] | 166 | } | 
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|  | 167 |  | 
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| [f10b0c] | 168 | template <> void Dialog::query< std::vector<std::string> >(Parameter<std::vector<std::string> > ¶m, const char *token, std::string description) | 
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| [9ee38b] | 169 | { | 
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| [f10b0c] | 170 | queryStrings(param, token, description); | 
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| [9ee38b] | 171 | } | 
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|  | 172 |  | 
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| [f10b0c] | 173 | template <> void Dialog::query<const atom *>(Parameter<const atom *> ¶m, const char *token, std::string description) | 
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| [9ee38b] | 174 | { | 
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| [f10b0c] | 175 | queryAtom(param, token, description); | 
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| [9ee38b] | 176 | } | 
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|  | 177 |  | 
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| [f10b0c] | 178 | template <> void Dialog::query< std::vector<const atom *> >(Parameter<std::vector<const atom *> > ¶m, const char *token, std::string description) | 
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| [9ee38b] | 179 | { | 
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| [f10b0c] | 180 | queryAtoms(param, token, description); | 
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| [9ee38b] | 181 | } | 
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|  | 182 |  | 
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| [f10b0c] | 183 | template <> void Dialog::query<const molecule *>(Parameter<const molecule *> ¶m, const char *token, std::string description) | 
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| [9ee38b] | 184 | { | 
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| [f10b0c] | 185 | queryMolecule(param, token, description); | 
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| [9ee38b] | 186 | } | 
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|  | 187 |  | 
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| [f10b0c] | 188 | template <> void Dialog::query< std::vector<const molecule *> >(Parameter<std::vector<const molecule *> > ¶m, const char *token, std::string description) | 
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| [9ee38b] | 189 | { | 
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| [f10b0c] | 190 | queryMolecules(param, token, description); | 
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| [9ee38b] | 191 | } | 
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|  | 192 |  | 
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| [f10b0c] | 193 | template <> void Dialog::query<Vector>(Parameter<Vector> ¶m, const char *token, std::string description) | 
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| [9ee38b] | 194 | { | 
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| [9d5531] | 195 | queryVector(param, token, description); | 
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| [9ee38b] | 196 | } | 
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|  | 197 |  | 
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| [f10b0c] | 198 | template <> void Dialog::query< std::vector<Vector> >(Parameter<std::vector<Vector> > ¶m, const char *token, std::string description) | 
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| [9ee38b] | 199 | { | 
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| [9d5531] | 200 | queryVectors(param, token, description); | 
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| [72f611] | 201 | } | 
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|  | 202 |  | 
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| [7d9416] | 203 | template <> void Dialog::query<RealSpaceMatrix>(Parameter<RealSpaceMatrix> ¶m, const char *token, std::string description) | 
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| [9ee38b] | 204 | { | 
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| [7d9416] | 205 | queryRealSpaceMatrix(param, token, description); | 
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| [9ee38b] | 206 | } | 
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|  | 207 |  | 
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| [f10b0c] | 208 | template <> void Dialog::query<const element *>(Parameter<const element *> ¶m, const char *token, std::string description) | 
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| [9ee38b] | 209 | { | 
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| [f10b0c] | 210 | queryElement(param, token, description); | 
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| [9ee38b] | 211 | } | 
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|  | 212 |  | 
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| [f10b0c] | 213 | template <> void Dialog::query< std::vector<const element *> >(Parameter<std::vector<const element *> > ¶m, const char *token, std::string description) | 
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| [9ee38b] | 214 | { | 
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| [f10b0c] | 215 | queryElements(param, token, description); | 
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| [9ee38b] | 216 | } | 
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|  | 217 |  | 
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| [f10b0c] | 218 | template <> void Dialog::query< boost::filesystem::path >(Parameter<boost::filesystem::path> ¶m, const char *token, std::string description) | 
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| [6f5dfe] | 219 | { | 
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| [f10b0c] | 220 | queryFile(param, token, description); | 
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| [6f5dfe] | 221 | } | 
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|  | 222 |  | 
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| [bd81f9] | 223 | template <> void Dialog::query< std::vector<boost::filesystem::path> >(Parameter<std::vector< boost::filesystem::path> > ¶m, const char *token, std::string description) | 
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| [2c5765] | 224 | { | 
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| [bd81f9] | 225 | queryFiles(param, token, description); | 
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| [2c5765] | 226 | } | 
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|  | 227 |  | 
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| [f10b0c] | 228 | template <> void Dialog::query< RandomNumberDistribution_Parameters >(Parameter<RandomNumberDistribution_Parameters> ¶m, const char *token, std::string description) | 
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| [0275ad] | 229 | { | 
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| [f10b0c] | 230 | queryRandomNumberDistribution_Parameters(param, token, description); | 
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| [0275ad] | 231 | } | 
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|  | 232 |  | 
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| [8df74d] | 233 | /************************** Query Infrastructure ************************/ | 
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|  | 234 | /*       ---> shifted to folder Query                                   */ | 
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|  | 235 | /************************************************************************/ | 
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