source: src/UIElements/CommandLineUI/CommandLineParser_validate.cpp@ 2eded3e

Action_Thermostats Add_AtomRandomPerturbation Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChangeBugEmailaddress ChemicalSpaceEvaluator EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_oldresults ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Last change on this file since 2eded3e was 9eb71b3, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Commented out MemDebug include and Memory::ignore.

  • MemDebug clashes with various allocation operators that use a specific placement in memory. It is so far not possible to wrap new/delete fully. Hence, we stop this effort which so far has forced us to put ever more includes (with clashes) into MemDebug and thereby bloat compilation time.
  • MemDebug does not add that much usefulness which is not also provided by valgrind.
  • Property mode set to 100644
File size: 8.0 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * CommandLineParser_validate.cpp
25 *
26 * Created on: Nov 8, 2010
27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35//#include "CodePatterns/MemDebug.hpp"
36
37#include <boost/version.hpp>
38
39#include <iostream>
40#include <string>
41
42#include "Actions/Values.hpp"
43#include "CommandLineParser_validate.hpp"
44#include "Parameters/Specifics/KeyValuePair.hpp"
45
46/** boost::program_options validator specialization for VectorValue.
47 * \param &v reference for return value
48 * \param &values string vector of scanned options
49 * \param *
50 * \param
51 *
52 */
53void validate(boost::any& v, const std::vector<std::string>& values, VectorValue *, int)
54{
55 VectorValue VV;
56 std::vector<std::string> components;
57
58 // split comma-separated values
59 if (values.size() != 1) {
60 std::cerr << "Not one vector but " << values.size() << " given " << std::endl;
61#if BOOST_VERSION < 104200
62 throw boost::program_options::validation_error("Unequal to one vector given");
63#else
64 throw boost::program_options::validation_error(
65 boost::program_options::validation_error::invalid_option_value,
66 std::string("value"),
67 std::string("VectorValue")
68 );
69#endif
70 }
71 std::string argument(values.at(0));
72 std::string::iterator Aiter = argument.begin();
73 std::string::iterator Biter = argument.begin();
74 for (; Aiter != argument.end(); ++Aiter) {
75 if (*Aiter == ',') {
76 components.push_back(std::string(Biter,Aiter));
77 do {
78 Aiter++;
79 } while (*Aiter == ' ' || *Aiter == '\t');
80 Biter = Aiter;
81 }
82 }
83 components.push_back(std::string(Biter,argument.end()));
84
85 if (components.size() != 3) {
86 std::cerr << "Specified vector does not have three components but " << components.size() << std::endl;
87#if BOOST_VERSION < 104200
88 throw boost::program_options::validation_error("Specified vector does not have three components");
89#else
90 throw boost::program_options::validation_error(
91 boost::program_options::validation_error::invalid_option_value,
92 std::string("value"),
93 std::string("VectorValue")
94 );
95#endif
96 }
97 for (size_t i=0;i<NDIM;++i)
98 VV.vector[i] = boost::lexical_cast<double>(components.at(i));
99 v = boost::any(VectorValue(VV));
100}
101
102void validate(boost::any& v, const std::vector<std::string>& values, RealSpaceMatrixValue *, int)
103{
104 RealSpaceMatrixValue RSMV;
105 std::vector<std::string> components;
106
107 // split comma-separated values
108 if (values.size() != 1) {
109 std::cerr << "Not one vector but " << values.size() << " given " << std::endl;
110#if BOOST_VERSION < 104200
111 throw boost::program_options::validation_error("Unequal to one vector given");
112#else
113 throw boost::program_options::validation_error(
114 boost::program_options::validation_error::invalid_option_value,
115 std::string("value"),
116 std::string("BoxValue")
117 );
118#endif
119 }
120 std::string argument(values.at(0));
121 std::string::iterator Aiter = argument.begin();
122 std::string::iterator Biter = argument.begin();
123 for (; Aiter != argument.end(); ++Aiter) {
124 if (*Aiter == ',') {
125 components.push_back(std::string(Biter,Aiter));
126 do {
127 Aiter++;
128 } while (*Aiter == ' ' || *Aiter == '\t');
129 Biter = Aiter;
130 }
131 }
132 components.push_back(std::string(Biter,argument.end()));
133
134 if (components.size() != 6) {
135 std::cerr << "Specified vector does not have three components but " << components.size() << std::endl;
136#if BOOST_VERSION < 104200
137 throw boost::program_options::validation_error("Specified symmetric box matrix does not have six components");
138#else
139 throw boost::program_options::validation_error(
140 boost::program_options::validation_error::invalid_option_value,
141 std::string("value"),
142 std::string("BoxValue")
143 );
144#endif
145 }
146 for (size_t i=0;i<(NDIM*(NDIM+1))/2; ++i)
147 RSMV.matrix[i] = boost::lexical_cast<double>(components.at(i));
148 v = boost::any(RealSpaceMatrixValue(RSMV));
149}
150
151/** boost::program_options validator specialization for boost::filesystem::path.
152 * \param &v reference for return value
153 * \param &values string vector of scanned options
154 * \param *
155 * \param
156 *
157 */
158void validate(boost::any& v, const std::vector<std::string>& values, boost::filesystem::path *, int)
159{
160// std::cerr << "boost::filesystem::path validator used." << std::endl;
161
162 // Make sure no previous assignment to 'a' was made.
163 boost::program_options::validators::check_first_occurrence(v);
164 // Extract the first string from 'values'. If there is more than
165 // one string, it's an error, and exception will be thrown.
166 const std::string& s = boost::program_options::validators::get_single_string(values);
167
168 v = boost::any(boost::filesystem::path(s));
169}
170
171/** boost::program_options validator specialization for boost::filesystem::path.
172 * \param &v reference for return value
173 * \param &values string vector of scanned options
174 * \param *
175 * \param
176 *
177 */
178void validate(boost::any& v, const std::vector<std::string>& values, KeyValuePair *, int)
179{
180// std::cerr << "KeyValuePair validator used." << std::endl;
181
182 // Make sure no previous assignment to 'a' was made.
183 boost::program_options::validators::check_first_occurrence(v);
184 // Extract the first string from 'values'. If there is more than
185 // one string, it's an error, and exception will be thrown.
186 const std::string& s = boost::program_options::validators::get_single_string(values);
187
188 if (s.find("=") == std::string::npos) {
189#if BOOST_VERSION < 104200
190 throw boost::program_options::validation_error("Invalid KeyValue given");
191#else
192throw boost::program_options::validation_error(
193 boost::program_options::validation_error::invalid_option_value,
194 std::string("value"),
195 std::string("vector<KeyValuePair>")
196 );
197#endif
198 }
199 v = boost::any(KeyValuePair(s));
200}
201
202/** boost::program_options validator specialization for boost::filesystem::path.
203 * \param &v reference for return value
204 * \param &values string vector of scanned options
205 * \param *
206 * \param
207 *
208 */
209void validate(boost::any& v, const std::vector<std::string>& values, std::vector<KeyValuePair> *, int)
210{
211// std::cerr << "vector<KeyValuePair> validator used." << std::endl;
212
213 // split comma-separated values
214 if (values.size() > 1) {
215#if BOOST_VERSION < 104200
216 throw boost::program_options::validation_error("Unequal to one file given");
217#else
218 if (values.size() == 0) {
219 throw boost::program_options::validation_error(
220 boost::program_options::validation_error::at_least_one_value_required,
221 std::string("value"),
222 std::string("vector<KeyValuePair>")
223 );
224 }
225#endif
226 for (std::vector<std::string>::const_iterator iter = values.begin();
227 iter != values.end();++iter)
228 if ((*iter).find("=") == std::string::npos) {
229#if BOOST_VERSION < 104200
230 throw boost::program_options::validation_error("Invalid KeyValue given");
231#else
232 throw boost::program_options::validation_error(
233 boost::program_options::validation_error::invalid_option_value,
234 std::string("value"),
235 std::string("vector<KeyValuePair>")
236 );
237#endif
238 }
239 }
240 std::vector<KeyValuePair> temp;
241 for (std::vector<std::string>::const_iterator iter = values.begin();
242 iter != values.end();++iter)
243 temp.push_back(KeyValuePair(*iter));
244 v = boost::any(temp);
245}
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