Fix_FitPartialCharges
      
      
      
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| [bed759] | 1 | /*
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 | 2 |  * QtMoleculeItemFactory.hpp
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 | 3 |  *
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 | 4 |  *  Created on: Jan 18, 2015
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 | 5 |  *      Author: heber
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 | 6 |  */
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 | 7 | 
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 | 8 | #ifndef QTMOLECULEITEMFACTORY_HPP_
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 | 9 | #define QTMOLECULEITEMFACTORY_HPP_
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 | 10 | 
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 | 11 | // include config.h
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 | 12 | #ifdef HAVE_CONFIG_H
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 | 13 | #include <config.h>
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 | 14 | #endif
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 | 15 | 
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| [6d1e0a] | 16 | #include <QList>
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 | 17 | 
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 | 18 | #include <string>
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 | 19 | 
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 | 20 | #include "UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.hpp"
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 | 21 | 
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| [ca1535] | 22 | #include "UIElements/Qt4/InstanceBoard/QtObservedMolecule.hpp"
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 | 23 | 
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| [6d1e0a] | 24 | /** This class is a factory for a list of QtMoleculeItem's.
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 | 25 |  *
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 | 26 |  * QtMoleculeList contains these per row, either a group item which combines
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 | 27 |  * molecules of the same formula, or a molecule item which represents a single
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 | 28 |  * molecule.
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 | 29 |  */
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| [ea2663] | 30 | struct QtMoleculeItemFactory
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| [bed759] | 31 | {
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| [ea2663] | 32 | 
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| [6d1e0a] | 33 |   static const int COLUMNCOUNT;
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 | 34 |   static const char *COLUMNNAMES[];
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 | 35 | 
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 | 36 |   /** Creates all QtMoleculeItem's that make up the row for a single molecule.
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 | 37 |    *
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| [ca1535] | 38 |    * \param _ObservedMolecule observed representation of the molecule
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| [6d1e0a] | 39 |    * \return list of prepared items to be appended to a group item
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 | 40 |    */
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| [ea2663] | 41 |   static QList<QStandardItem *> createMoleculeItems(
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| [7993fe] | 42 |       QtObservedMolecule::ptr &_ObservedMolecule);
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| [bed759] | 43 | 
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| [6d1e0a] | 44 |   /** Creates all QtMoleculeItem's that make up a row of a group item.
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 | 45 |    *
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 | 46 |    * \param _formula chemical formula which describes all molecules in this group
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 | 47 |    * \return list of prepared items to be appended to the invisibleRootItem()
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 | 48 |    */
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| [ea2663] | 49 |   static QList<QStandardItem *> createGroupItems(const std::string &_formula);
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| [bed759] | 50 | };
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 | 51 | 
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 | 52 | 
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 | 53 | #endif /* QTMOLECULEITEMFACTORY_HPP_ */
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