1 /* massXpert - the true massist's program. 2 -------------------------------------- 3 Copyright(C) 2006,2007 Filippo Rusconi 4 5 http://www.massxpert.org/massXpert 6 7 This file is part of the massXpert project. 8 9 The massxpert project is the successor to the "GNU polyxmass" 10 project that is an official GNU project package(see 11 www.gnu.org). The massXpert project is not endorsed by the GNU 12 project, although it is released ---in its entirety--- under the 13 GNU General Public License. A huge part of the code in massXpert 14 is actually a C++ rewrite of code in GNU polyxmass. As such 15 massXpert was started at the Centre National de la Recherche 16 Scientifique(FRANCE), that granted me the formal authorization to 17 publish it under this Free Software License. 18 19 This software is free software; you can redistribute it and/or 20 modify it under the terms of the GNU General Public 21 License version 3, as published by the Free Software Foundation. 22 23 24 This software is distributed in the hope that it will be useful, 25 but WITHOUT ANY WARRANTY; without even the implied warranty of 26 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU 27 General Public License for more details. 28 29 You should have received a copy of the GNU General Public License 30 along with this software; if not, write to the 31 32 Free Software Foundation, Inc., 33 34 51 Franklin St, Fifth Floor, Boston, MA 02110-1301, USA. 35 */ 36 37 38 #ifndef PKA_PH_PI_DLG_HPP 39 #define PKA_PH_PI_DLG_HPP 40 41 42 /////////////////////// Qt includes 43 #include <QMainWindow> 44 45 46 /////////////////////// Local includes 47 #include "ui_pkaPhPiDlg.h" 48 #include "sequenceEditorWnd.hpp" 49 #include "pkaPhPi.hpp" 50 51 52 namespace massXpert 53 { 54 55 enum 56 { 57 MXP_TARGET_PI = 0, 58 MXP_TARGET_NET_CHARGE = 1 59 }; 60 61 62 class PkaPhPiDlg : public QDialog 63 { 64 Q_OBJECT 65 66 private: 67 Ui::PkaPhPiDlg m_ui; 68 SequenceEditorWnd *mp_editorWnd; 69 70 // The results-exporting strings. //////////////////////////////// 71 QString *mpa_resultsString; 72 QString m_resultsFilePath; 73 //////////////////////////////////// The results-exporting strings. 74 75 76 // mpa_pkaPhPi not allocated locally, but ownnership taken by *this, 77 // and will be deleted upon destruction of *this. 78 PkaPhPi *mpa_pkaPhPi; 79 80 const Polymer &m_polymer; 81 CalcOptions m_calcOptions; 82 83 int m_startIndex; 84 int m_endIndex; 85 int m_chemGroupsTested; 86 87 void closeEvent(QCloseEvent *event); 88 89 bool fetchValidateInputData(); 90 91 // The results-exporting functions. //////////////////////////////// 92 void prepareResultsTxtString(int); 93 bool exportResultsClipboard(); 94 bool exportResultsFile(); 95 bool selectResultsFile(); 96 //////////////////////////////////// The results-exporting functions. 97 98 public: 99 PkaPhPiDlg(QWidget *, 100 PkaPhPi *, 101 Polymer &, 102 CalcOptions &); 103 104 ~PkaPhPiDlg(); 105 106 SequenceEditorWnd *editorWnd(); 107 108 public slots: 109 void netCharge(); 110 void isoelectricPoint(); 111 void exportResults(int); 112 }; 113 114 } // namespace massXpert 115 116 117 #endif // PKA_PH_PI_DLG_HPP 118