source: src/Actions/Values.cpp

Candidate_v1.6.1
Last change on this file was f79d65, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Vector(s) are now stored as strings in Querys intermediately.

  • they get evaluated first after being stored in a Parameter/Value on request via get().
  • Needed to change all Vector(s)..Query's of all UIs and also the general base classes inside Dialog.
  • QtQueryList need to be specialized in order to allow a QtQueryList<Vector> to actually store a vector of strings.
  • we may use setAsString() in order to set the Parameter thankfully.
  • TESTS: All regression tests on Geometry Actions are now working. Removed XFAIL from Options/Session test that use Python, i.e. the ones we marked four commits ago.
  • Property mode set to 100644
File size: 2.5 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 * Values.cpp
25 *
26 * Created on: Feb 10, 2011
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 "CodePatterns/Assert.hpp"
38
39#include <boost/lexical_cast.hpp>
40#include <boost/tokenizer.hpp>
41
42#include "Box.hpp"
43#include "LinearAlgebra/BoxVector.hpp"
44#include "LinearAlgebra/RealSpaceMatrix.hpp"
45#include "LinearAlgebra/Vector.hpp"
46
47#include "Values.hpp"
48
49static const Vector parseAsVector(const std::string &_string)
50{
51 Vector temp;
52 // dissect by ","
53 typedef boost::tokenizer<boost::char_separator<char> > tokenizer;
54 boost::char_separator<char> value_separator(",)(");
55
56 bool status = true;
57 tokenizer tokens(_string, value_separator);
58 if (!_string.empty()) {
59 tokenizer::iterator tok_iter = tokens.begin();
60 for (size_t i=0;i<NDIM;++i) {
61 if (tok_iter == tokens.end()) {
62 status = false;
63 break;
64 }
65 temp[i] = boost::lexical_cast<double>(*(tok_iter++));
66 }
67 }
68 if (!status)
69 temp.Zero();
70
71 return temp;
72}
73
74Vector VectorValue::toVector() const
75{
76 Vector returnVector = parseAsVector(vectorstring);
77
78 return returnVector;
79}
80
81BoxVector VectorValue::toBoxVector(Box &_box) const
82{
83 BoxVector returnVector;
84 static_cast<Vector>(returnVector) = parseAsVector(vectorstring); // under its hood it's still a Vector
85
86 ASSERT(_box.isValid(returnVector),
87 "VectorValue::toBoxVector() - vector "+toString(toVector())+" does not lie within box "+toString(_box)+".");
88
89 return returnVector;
90}
91
92RealSpaceMatrix RealSpaceMatrixValue::toRealSpaceMatrix() const
93{
94 RealSpaceMatrix returnMatrix(ReturnFullMatrixforSymmetric(matrix));
95
96 return returnMatrix;
97}
Note: See TracBrowser for help on using the repository browser.