source: src/Parameters/Specifics/Value_elements.cpp@ f45a91

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Last change on this file since f45a91 was 2f429e, checked in by Frederik Heber <heber@…>, 9 years ago

Elements are now parsed as string (and tried for being int).

  • this allows to parse both "He" and "2", i.e. both symbol and atomic number.
  • this works for both command-line and Python.
  • Property mode set to 100644
File size: 2.9 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2015 Frederik Heber. 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 * Value_elementss.cpp
25 *
26 * Created on: Jul 18, 2015
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 "Value_elements.hpp"
38
39#include <string>
40#include <sstream>
41
42#include <boost/lexical_cast.hpp>
43#include <boost/tokenizer.hpp>
44
45#include "CodePatterns/toString.hpp"
46
47#include "Element/element.hpp"
48#include "Element/periodentafel.hpp"
49#include "World.hpp"
50
51static std::vector<const element *> FindElementsByString(const std::string &_value)
52{
53 typedef boost::tokenizer<boost::char_separator<char> > tokenizer;
54 boost::char_separator<char> sep(" ");
55 tokenizer tok(_value, sep);
56 std::vector<const element *> elements;
57 for(tokenizer::iterator beg=tok.begin();
58 beg != tok.end();++beg) {
59 const element * elem = NULL;
60 try {
61 const int tempvalue = boost::lexical_cast<atomicNumber_t>(*beg);
62 elem = World::getInstance().getPeriode()->FindElement(tempvalue);
63 } catch( boost::bad_lexical_cast &e) {
64 elem = World::getInstance().getPeriode()->FindElement(*beg);
65 }
66 ASSERT( elem != NULL,
67 "FindElementsByString() - cannnot find element "
68 +toString(*beg)+" in periodentafel.");
69 elements.push_back(elem);
70 }
71 return elements;
72}
73
74template <>
75bool Value<std::vector<const element *> >::isValidAsString(const std::string &_value) const throw(ParameterValidatorException)
76{
77 try {
78 FindElementsByString(_value);
79 } catch (exception &e) {
80 return false;
81 }
82 return true;
83}
84
85template <>
86const std::string Value<std::vector<const element *> >::getAsString() const throw(ParameterValueException)
87{
88 std::stringstream output;
89 for (std::vector<const element *>::const_iterator iter = get().begin();
90 iter != get().end(); ++iter)
91 output << (*iter)->getName();
92 return output.str();
93}
94
95template <>
96void Value<std::vector<const element *> >::setAsString(const std::string &_value) throw(ParameterException)
97{
98 std::vector<const element *> temp = FindElementsByString(_value);
99 if (!temp.empty())
100 set(temp);
101}
102
103
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