Changeset cef1d7

Timestamp:

Jan 26, 2010, 4:25:25 PM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

9fe36b

Parents:

90082e

Message:

Added basic structure for a GL-Visualization of molecules.

Files:

• configure.ac (modified) (1 diff)
• m4/acx_pthread.m4 (added)
• m4/ax_check_gl.m4 (added)
• m4/ax_check_glu.m4 (added)
• src/Makefile.am (modified) (2 diffs)
• src/Menu/QT4/QTMenu.hpp (modified) (1 diff)
• src/UIElements/QT4/QTDialog.hpp (modified) (1 diff)
• src/UIElements/QT4/QTMainWindow.cpp (modified) (3 diffs)
• src/UIElements/QT4/QTMainWindow.hpp (modified) (2 diffs)
• src/Views/QT4/GLMoleculeView.cpp (added)
• src/Views/QT4/GLMoleculeView.hpp (added)
• src/Views/QT4/QTMoleculesView.hpp (modified) (1 diff)

configure.ac

@@ -37 +37 @@
 #QT4 libraries
 gw_CHECK_QT4
+AX_CHECK_GLU
+AC_MSG_NOTICE(["GLU_CFLAGS: $GLU_CFLAGS, GLU_CXXFLAGS: $GLU_CXXFLAGS, GLU_LDFLAGS: $GLU_LDFLAGS, GLU_LIBS: $GLU_LIBS"])
+
 
 # Checks for header files.

src/Makefile.am

@@ -20 +20 @@
 UIHEADER = ${ACTIONSHEADER} ${VIEWHEADER} ${MENUHEADER} UIElements/UIFactory.hpp UIElements/TextUIFactory.hpp UIElements/MainWindow.hpp UIElements/TextWindow.hpp UIElements/Dialog.hpp UIElements/TextDialog.hpp
 
-QTUIMOC_HEADER = UIElements/QT4/QTMainWindow.hpp UIElements/QT4/QTDialog.hpp Menu/QT4/QTMenu.hpp  Views/QT4/QTMoleculesView.hpp
-QTUIMOC_TARGETS = QTMainWindow.moc.cpp QTMenu.moc.cpp QTDialog.moc.cpp QTMoleculesView.moc.cpp
+QTUIMOC_HEADER = UIElements/QT4/QTMainWindow.hpp UIElements/QT4/QTDialog.hpp Menu/QT4/QTMenu.hpp  Views/QT4/QTMoleculesView.hpp Views/QT4/GLMoleculeView.hpp
+QTUIMOC_TARGETS = QTMainWindow.moc.cpp QTMenu.moc.cpp QTDialog.moc.cpp QTMoleculesView.moc.cpp GLMoleculeView.moc.cpp
 
-QTUISOURCE = ${QTUIMOC_TARGETS} UIElements/QT4/QTMainWindow.cpp UIElements/QT4/QTDialog.cpp UIElements/QT4/QTUIFactory.cpp Menu/QT4/QTMenu.cpp Views/QT4/QTMoleculesView.cpp
+QTUISOURCE = ${QTUIMOC_TARGETS} UIElements/QT4/QTMainWindow.cpp UIElements/QT4/QTDialog.cpp UIElements/QT4/QTUIFactory.cpp Menu/QT4/QTMenu.cpp Views/QT4/QTMoleculesView.cpp Views/QT4/GLMoleculeView.cpp
 QTUIHEADER = ${QTUIMOC_HEADER} UIElements/QT4/QTUIFactory.hpp
 
@@ -39 +39 @@
 bin_PROGRAMS = molecuilder molecuildergui joiner analyzer 
 molecuilderdir = ${bindir}
-libmolecuilder_a_CXXFLAGS = ${QT_CXXFLAGS}
+libmolecuilder_a_CXXFLAGS = ${QT_CXXFLAGS} ${GLU_CXXFLAGS}
 libmolecuilder_a_SOURCES = ${SOURCE} ${HEADER}
 molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
-molecuilder_CXXFLAGS = ${QT_CXXFLAGS}
-molecuilder_LDFLAGS = $(BOOST_LIB) ${QT_LDFLAGS}
+molecuilder_CXXFLAGS = ${QT_CXXFLAGS} ${GLU_CXXFLAGS}
+molecuilder_LDFLAGS = $(BOOST_LIB) ${QT_LDFLAGS}  ${GLU_LDFLAGS}
 molecuilder_SOURCES = builder.cpp 
-molecuilder_LDADD = libmolecuilder.a ${QT_LDADD} ${QT_LIB_GUI}
+molecuilder_LDADD = libmolecuilder.a ${QT_LDADD} ${QT_LIB_GUI} -lQtOpenGL ${GLU_LIBS}
 #Stuff for building the GUI using QT
 molecuildergui_SOURCES = builder.cpp
-molecuildergui_CXXFLAGS = ${QT_CXXFLAGS} -DUSE_GUI_QT
-molecuildergui_LDFLAGS = $(BOOST_LIB) ${QT_LDFLAGS}
-molecuildergui_LDADD = libmolecuilder.a ${QT_LDADD} ${QT_LIB_GUI}
+molecuildergui_CXXFLAGS = ${QT_CXXFLAGS} ${GLU_CXXFLAGS} -DUSE_GUI_QT
+molecuildergui_LDFLAGS = $(BOOST_LIB) ${QT_LDFLAGS} ${GLU_LDFLAGS}
+molecuildergui_LDADD = libmolecuilder.a ${QT_LDADD} ${QT_LIB_GUI} -lQtOpenGL ${GLU_LIBS}
 joiner_SOURCES = joiner.cpp datacreator.cpp parser.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp
 joiner_LDADD = libmolecuilder.a 

src/Menu/QT4/QTMenu.hpp

@@ -11 +11 @@
 #include <list>
 
-#include <Qt/qmenu.h>
-#include <Qt/qobject.h>
+#include <QtGui/QMenu>
+#include <QtCore/QObject>
 
 #include "Menu/Menu.hpp"

src/UIElements/QT4/QTDialog.hpp

@@ -10 +10 @@
 
 #include "UIElements/Dialog.hpp"
-#include <Qt/qdialog.h>
+#include <QtGui/QDialog>
 
 class QBoxLayout;

src/UIElements/QT4/QTMainWindow.cpp

@@ -12 +12 @@
 #include<Qt/qstring.h>
 #include<Qt/qmenubar.h>
+#include<Qt/qsplitter.h>
 
 #include<iostream>
@@ -20 +21 @@
 #include "Menu/QT4/QTMenu.hpp"
 #include "Views/QT4/QTMoleculesView.hpp"
+#include "Views/QT4/GLMoleculeView.hpp"
 
 
@@ -27 +29 @@
     theApp(_theApp)
 {
-  moleculeDisplay = new QTMoleculesView(molecules,this);
-  setCentralWidget(moleculeDisplay);
+  QSplitter *splitter1 = new QSplitter (Qt::Horizontal, this );
+  QSplitter *splitter2 = new QSplitter (Qt::Vertical, splitter1 );
+
+  moleculeDisplay = new QTMoleculesView(molecules,splitter2);
+
+  QLabel *pseudo1 = new QLabel(QString("Here be dragons"));
+  molecule3dDisplay = new GLMoleculeView();
+
+  setCentralWidget(splitter1);
+  splitter1->addWidget(splitter2);
+  splitter1->addWidget(pseudo1);
+  splitter2->addWidget(molecule3dDisplay);
+  splitter2->addWidget(moleculeDisplay);
+
+
+
 
   editMoleculesMenu = new QTMenu("Edit Molecules");

src/UIElements/QT4/QTMainWindow.hpp

@@ -10 +10 @@
 
 #include "UIElements/MainWindow.hpp"
-#include <Qt/qmainwindow.h>
+#include <QtGui/QMainWindow>
 
 class QTMoleculesView;
 class StringView;
 class QTMenu;
+class GLMoleculeView;
 
 class QTMainWindow : public QMainWindow, public MainWindow
@@ -32 +33 @@
   QTMoleculesView *moleculeDisplay;
   QTMenu *editMoleculesMenu;
+  GLMoleculeView *molecule3dDisplay;
 
 };

src/Views/QT4/QTMoleculesView.hpp

@@ -9 +9 @@
 #define QTMOLECULESVIEW_HPP_
 
-#include <Qt/qtablewidget.h>
+#include <QtGui/QTableWidget>
 #include "Patterns/Observer.hpp"