From 5f1716c72e127a37a87fc509393fd564431ef17b Mon Sep 17 00:00:00 2001 From: "t.youngs" Date: Tue, 5 Oct 2010 15:10:18 +0000 Subject: [PATCH] Fixed - Mouse cursor seemed to be unset over main view on startup. --- aten.kdevelop | 2 +- data/scripts/liquid-water.txt | 2 +- src/gui/gui.cpp | 1 + src/gui/mainwindow.ui | 2277 +++++++++++++++++---------------- src/main/version.h | 4 +- 5 files changed, 1196 insertions(+), 1090 deletions(-) diff --git a/aten.kdevelop b/aten.kdevelop index d24b50cce..fba0a3397 100644 --- a/aten.kdevelop +++ b/aten.kdevelop @@ -57,7 +57,7 @@ true - false + true 4 false diff --git a/data/scripts/liquid-water.txt b/data/scripts/liquid-water.txt index e858a94d5..c97e64a09 100644 --- a/data/scripts/liquid-water.txt +++ b/data/scripts/liquid-water.txt @@ -10,7 +10,7 @@ move(1.0, 0.0, 0.0); chain(H); # Set box size and determine number of molecules -double boxlength = 10.0; +double boxlength = 20.0; nmols(boxlength^3 / 29.9); loadff("spc.ff"); diff --git a/src/gui/gui.cpp b/src/gui/gui.cpp index fa375d045..caef4c720 100644 --- a/src/gui/gui.cpp +++ b/src/gui/gui.cpp @@ -156,6 +156,7 @@ void GuiQt::initialise(int &argc, char **argv) mainWidget = new TCanvas(ctxt, mainWindow); mainWidget->probeFeatures(); mainWidget->setGeometry(0,0,800,600); + mainWidget->setCursor(Qt::ArrowCursor); // Set the main gui widgetcanvas to be associated to the GUIs TCanvas (and vice versa) mainView.setWidget(mainWidget); mainWidget->setCanvas(&mainView); diff --git a/src/gui/mainwindow.ui b/src/gui/mainwindow.ui index 61fe0e6f4..7c5f4f931 100644 --- a/src/gui/mainwindow.ui +++ b/src/gui/mainwindow.ui @@ -1,8 +1,8 @@ - + Tris Youngs MainWindow - - + + 0 0 @@ -10,57 +10,65 @@ 814 - - + + 0 0 - + 10000 10000 - + Qt::NoFocus - + Aten (VERSION) - - + + :/program/icons/aten.png:/program/icons/aten.png - + true - + Qt::ToolButtonIconOnly - + false - - - + + + + 0 + 125 + 996 + 666 + + + + 4 - + 2 - - + + 0 - + 0 - - - + + + 255 0 @@ -68,67 +76,67 @@ - - + + Qt::Vertical - - + + QFrame::StyledPanel - + QFrame::Raised - - - + + + 255 0 - + 0 64 - + 16777215 256 - + Courier 10 Pitch - + true - + Qt::NoFocus - + Qt::DefaultContextMenu - + false - + Qt::ScrollBarAlwaysOff - + false - + true - + false - + Qt::TextBrowserInteraction @@ -138,2312 +146,2409 @@ - - + + 0 0 1031 - 22 + 23 - - + + Se&ttings - - - + + + - - + + &File - - + + &Recent Files - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + - - + + &Edit - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + - - + + &View - - + + Set View Along - - - - - - - - - - - - - + + + + + + + + + + + + + - - + + Render Style - - - - - + + + + + - - + + Atom Colours - - - - - + + + + + - - - - - - - - - - - - - + + + + + + + + + + + + + - - + + &Model - - + + Measurements - - - + + + - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + - - + + &Selection - - + + Labels - - - - - - - - + + + + + + + + - - + + Style - - - - + + + + - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + - - + + &Help - - - + + + - - - - - - - + + + + + + + + + + + + 0 + 791 + 1031 + 23 + + - - - + + + + 0 + 23 + 169 + 34 + + + File / Model - + Qt::Horizontal - + 24 24 - + Qt::ToolButtonIconOnly - + TopToolBarArea - + false - - - - - + + + + + - - + + + + 169 + 23 + 169 + 34 + + + Draw Style - + Qt::Horizontal - + 24 24 - + TopToolBarArea - + false - - - - - + + + + + - - + + + + 338 + 23 + 693 + 34 + + + Edit - + Qt::Horizontal - + 24 24 - + TopToolBarArea - + false - - - - + + + + - - - + + + + 0 + 57 + 200 + 34 + + + + 0 0 - + Trajectory Playback - + Qt::Horizontal - + 24 24 - + TopToolBarArea - + true - - - - - - + + + + + + - - + + + + 200 + 57 + 107 + 34 + + + Mouse - + Qt::Horizontal - + 24 24 - + TopToolBarArea - + false - - - + + + - - + + + + 307 + 57 + 237 + 34 + + + Select - + Qt::Horizontal - + 24 24 - + TopToolBarArea - + false - - - - - - - - + + + + + + + + - - + + + + 544 + 57 + 373 + 34 + + + Build - + Qt::Horizontal - + 24 24 - + TopToolBarArea - + false - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + - - + + + + 917 + 57 + 57 + 34 + + + Bonding - + Qt::Horizontal - + 24 24 - + TopToolBarArea - + false - - - - - - + + + + + + - - + + + + 974 + 57 + 57 + 34 + + + Measure - + Qt::Horizontal - + 24 24 - + TopToolBarArea - + false - - - - - - - - + + + + + + + + - - + + + + 0 + 91 + 1031 + 34 + + + Forcefields - + Qt::Horizontal - + 24 24 - + TopToolBarArea - + true - - - + + + - - + + + + 996 + 125 + 35 + 666 + + + Tool WIndows - + Qt::Vertical - + 24 24 - + RightToolBarArea - + false - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + - - - + + + :/file/icons/file_open.svg:/file/icons/file_open.svg - + &Open Model - + Open an existing model - + Ctrl+O - - - + + + :/file/icons/file_save.svg:/file/icons/file_save.svg - + &Save Model - + Save the current model - + Ctrl+S - - - + + + :/file/icons/file_new.svg:/file/icons/file_new.svg - + &New Model - + Create a new, empty model - + Ctrl+N - - + + true - + true - - + + :/draw_styles/icons/style_stick.svg:/draw_styles/icons/style_stick.svg - + Stick - + Ctrl+1 - - + + true - - + + :/draw_styles/icons/style_tube.svg:/draw_styles/icons/style_tube.svg - + Tube - + Ctrl+2 - - + + true - - + + :/draw_styles/icons/style_sphere.svg:/draw_styles/icons/style_sphere.svg - + Sphere - + Ctrl+3 - - + + true - - + + :/draw_styles/icons/style_scaled.svg:/draw_styles/icons/style_scaled.svg - + Scaled - + Ctrl+4 - - + + true - - + + :/draw_styles/icons/style_individual.svg:/draw_styles/icons/style_individual.svg - + Individual - + Ctrl+5 - - - + + + :/file/icons/file_saveas.svg:/file/icons/file_saveas.svg - + Save Model &As - + Save the current model under a different filename - - - + + + :/edit/icons/edit_cut.svg:/edit/icons/edit_cut.svg - + &Cut - + Cut the current selection - + Ctrl+X - - - + + + :/edit/icons/edit_copy.svg:/edit/icons/edit_copy.svg - + C&opy - + Copy the current selection - + Ctrl+C - - - + + + :/edit/icons/edit_paste.svg:/edit/icons/edit_paste.svg - + &Paste - + Paste the contents of the clipboard to the current model - + Ctrl+V - - - + + + :/edit/icons/edit_delete.svg:/edit/icons/edit_delete.svg - + &Delete - + Delete the current selection - + Ctrl+Del - - - + + + :/select/icons/select_invert.svg:/select/icons/select_invert.svg - + &Invert Selection - + Invert the current selection - + Ctrl+I - - - + + + :/select/icons/select_all.svg:/select/icons/select_all.svg - + Select &All - + Select all atoms in the model - + Ctrl+A - - - + + + :/select/icons/select_none.svg:/select/icons/select_none.svg - + Select &None - + Deselect all atoms - + Ctrl+D - - - + + + :/playback/icons/traj_next.svg:/playback/icons/traj_next.svg - + Next Frame - + Ctrl+. - - - + + + :/playback/icons/traj_prev.svg:/playback/icons/traj_prev.svg - + Previous Frame - + Ctrl+, - - + + true - - + + :/playback/icons/traj_playpause.svg:/playback/icons/traj_playpause.svg - + Play / Pause - + Ctrl+P - - - + + + :/playback/icons/traj_first.svg:/playback/icons/traj_first.svg - + First Frame - + Ctrl+Shift+< - - - + + + :/playback/icons/traj_last.svg:/playback/icons/traj_last.svg - + Last Frame - - Ctrl+Shift+> + + Ctrl+Shift+> - - + + true - + true - - + + :/select/icons/select_atoms.svg:/select/icons/select_atoms.svg - + Select Atoms - - + + true - - + + :/select/icons/select_molecules.svg:/select/icons/select_molecules.svg - + Select Molecules - + Select bound fragments / molecules - - + + true - - + + :/build/icons/build_atom.svg:/build/icons/build_atom.svg - + Draw Atoms - - + + true - - + + :/build/icons/build_chain.svg:/build/icons/build_chain.svg - + Draw Chains - - + + true - - + + :/select/icons/select_element.svg:/select/icons/select_element.svg - + Select by Element - + Select all atoms of selected element - - - + + + :/select/icons/select_expand.svg:/select/icons/select_expand.svg - + &Expand Selection - + Expand current selection by one step along bonds - - + + true - - + + :/geometry/icons/measure_distance.svg:/geometry/icons/measure_distance.svg - + Measure Distance - - + + true - - + + :/geometry/icons/measure_angle.svg:/geometry/icons/measure_angle.svg - + Measure Angle - - + + true - - + + :/geometry/icons/measure_torsion.svg:/geometry/icons/measure_torsion.svg - + Measure Torsion - - + + Reset View - + Ctrl+R - - - + + + :/view/icons/view_zoomin.svg:/view/icons/view_zoomin.svg - + Zoom In - + Ctrl+Shift+= - - - + + + :/view/icons/view_zoomout.svg:/view/icons/view_zoomout.svg - + Zoom Out - + Ctrl+- - - + + true - + true - + Perspective - - + + true - + Orthographic - - + + true - + true - + Element - - + + true - + Charge - - + + true - + Forces - - + + Perform Typing - - + + Remove Typing - - - + + + :/model/icons/model_foldatoms.svg:/model/icons/model_foldatoms.svg - + Fold Atoms - + Ctrl+F - - - + + + :/model/icons/model_foldmolecules.svg:/model/icons/model_foldmolecules.svg - + Fold Molecules - + Ctrl+Shift+F - - - + + + :/model/icons/model_next.svg:/model/icons/model_next.svg - + Next - + Ctrl+Right - - - + + + :/model/icons/model_prev.svg:/model/icons/model_prev.svg - + Previous - + Ctrl+Left - - - + + + :/file/icons/file_close.svg:/file/icons/file_close.svg - + Close Model - - - + + + :/draw_styles/icons/style_stick.svg:/draw_styles/icons/style_stick.svg - + Stick - - - + + + :/draw_styles/icons/style_tube.svg:/draw_styles/icons/style_tube.svg - + Tube - - - + + + :/draw_styles/icons/style_sphere.svg:/draw_styles/icons/style_sphere.svg - + Sphere - - - + + + :/draw_styles/icons/style_scaled.svg:/draw_styles/icons/style_scaled.svg - + Scaled - - + + Atom ID - - + + Charge - - + + FF Type - + FF Type - + FF Type - - + + Element - - + + FF Equivalent - - + + true - + true - + Model - - + + true - + false - + Trajectory - - + + Add Trajectory - - + + &Quit - - - + + + :/file/icons/file_saveimage.svg:/file/icons/file_saveimage.svg - + Save &Image - - + + Preferences - - + + Hide - + Hide - + Hide selected atoms - + Ctrl+H - - + + true - + true - - + + :/mouse/icons/mouse_interact.svg:/mouse/icons/mouse_interact.svg - + Interact - + F1 - + Qt::ApplicationShortcut - - + + true - - + + :/mouse/icons/mouse_rotate.svg:/mouse/icons/mouse_rotate.svg - + Rotate - + F2 - + Qt::ApplicationShortcut - - + + true - - + + :/mouse/icons/mouse_translate.svg:/mouse/icons/mouse_translate.svg - + Translate - + F3 - + Qt::ApplicationShortcut - - + + ZRotate - - + + Open &Forcefield - - + + Open &Grid Data - - + + false - - + + :/edit/icons/edit_undo.svg:/edit/icons/edit_undo.svg - + &Undo - + Ctrl+Z - - - + + + :/edit/icons/edit_redo.svg:/edit/icons/edit_redo.svg - + Redo - + Ctrl+Y - - - + + + :/basic/icons/basic_cross.svg:/basic/icons/basic_cross.svg - + Clear - - - + + + :/basic/icons/basic_cross.svg:/basic/icons/basic_cross.svg - + Clear all - - + + Cartesian +X - + Cartesian +X - + Cartesian +X - - + + Cartesian +Y - + Cartesian +Y - + Cartesian +Y - - + + Cartesian +Z - + Cartesian +Z - + Cartesian +Z - - + + Cell +X - + Cell +X - + Cell +X - - + + Cell +Y - + Cell +Y - + Cell +Y - - + + Cell +Z - + Cell +Z - + Cell +Z - - + + Cartesian -X - + Cartesian -X - + Cartesian -X - - + + Cartesian -Y - + Cartesian -Y - + Cartesian -Y - - + + Cartesian -Z - + Cartesian -Z - + Cartesian -Z - - + + Cell -X - + Cell -X - + Cell -X - - + + Cell -Y - + Cell -Y - + Cell -Y - - + + Cell -Z - + Cell -Z - + Cell -Z - - + + Save &Expression - - + + Show All Atoms - + Ctrl+Shift+H - - - + + + :/file/icons/file_open.svg:/file/icons/file_open.svg - + Load Script - - - + + + :/model/icons/model_rename.svg:/model/icons/model_rename.svg - + Rename - - - + + + :/build/icons/build_probe.svg:/build/icons/build_probe.svg - + Probe Atom - + Probe individual atoms - - + + true - - + + :/build/icons/build_transmute.svg:/build/icons/build_transmute.svg - + Transmute individual atoms - - + + true - - + + :/build/icons/build_h.svg:/build/icons/build_h.svg - + H - - + + true - + true - - + + :/build/icons/build_c.svg:/build/icons/build_c.svg - + C - - + + true - - + + :/build/icons/build_n.svg:/build/icons/build_n.svg - + N - - + + true - + O - - - + + + :/build/icons/build_addh.svg:/build/icons/build_addh.svg - + Add Hydrogen - + Add hydrogens to all atoms - - + + true - - + + :/build/icons/build_atomaddh.svg:/build/icons/build_atomaddh.svg - + Add Hydrogen - + Add hydrogen to specific atoms - - - + + + :/bond/icons/bond_calc.svg:/bond/icons/bond_calc.svg - + Calculate Bonding - + Calculate bonding in the model - - - + + + :/bond/icons/bond_clear.svg:/bond/icons/bond_clear.svg - + Clear Bonding - + Clear bonding in the model - - - + + + :/bond/icons/bond_calcsel.svg:/bond/icons/bond_calcsel.svg - + Calculate Bonding in selection - + Calculate bonding in selection - - - + + + :/bond/icons/bond_clearsel.svg:/bond/icons/bond_clearsel.svg - + Clear Bonding in Selection - + Clear bonding in current selection - - - + + + :/geometry/icons/measure_distancesel.svg:/geometry/icons/measure_distancesel.svg - + Measure Distances in Selection - + Measure all bond distances in selection - - - + + + :/geometry/icons/measure_anglesel.svg:/geometry/icons/measure_anglesel.svg - + Measure Angles in Selection - + Measure all bond angles in selection - - - + + + :/geometry/icons/measure_torsionsel.svg:/geometry/icons/measure_torsionsel.svg - + Measure Torsions in Selection - + Measure all torsion angles in selection - - - + + + :/basic/icons/basic_cross.svg:/basic/icons/basic_cross.svg - + Clear - - - + + + :/file/icons/file_open.svg:/file/icons/file_open.svg - + Load - - - + + + :/file/icons/file_save.svg:/file/icons/file_save.svg - + Save - - + + Associate Model - - + + Associate All - - + + Associate Pattern - - + + Edit - - + + true - - + + :/bond/icons/bond_single.svg:/bond/icons/bond_single.svg - + Bond Single - - + + true - - + + :/bond/icons/bond_double.svg:/bond/icons/bond_double.svg - + Bond Double - - + + true - - + + :/bond/icons/bond_triple.svg:/bond/icons/bond_triple.svg - + Bond Triple - - + + true - - + + :/bond/icons/bond_delete.svg:/bond/icons/bond_delete.svg - + Delete Bond - - + + true - - + + :/stackicons/icons/stack_ff.svg:/stackicons/icons/stack_ff.svg - + Forcefields - + Forcefields - + Show / hide forcefields window - - + + true - - + + :/stackicons/icons/stack_atomlist.svg:/stackicons/icons/stack_atomlist.svg - + Atomlist - + Atomlist - + Show / hide atomlist window - - + + true - - + + :/stackicons/icons/stack_celldefine.svg:/stackicons/icons/stack_celldefine.svg - + Cell Define - + Show / hide cell definition window - - + + true - - + + :/stackicons/icons/stack_celledit.svg:/stackicons/icons/stack_celledit.svg - + Cell Transform - + Show / hide cell transform window - - + + true - - + + :/stackicons/icons/stack_build.svg:/stackicons/icons/stack_build.svg - + Build - + Show / hide builder window - - + + true - - + + :/stackicons/icons/stack_surfaces.svg:/stackicons/icons/stack_surfaces.svg - + Grids - + Show / hide grids window - - + + true - - + + :/stackicons/icons/stack_transform.svg:/stackicons/icons/stack_transform.svg - + Transform - + Show / hide atom transform window - - + + true - - + + :/stackicons/icons/stack_position.svg:/stackicons/icons/stack_position.svg - + Position - + Show / hide atom position window - - + + true - - + + :/stackicons/icons/stack_minimiser.svg:/stackicons/icons/stack_minimiser.svg - + Minimiser - + Show / hide minimiser window - - + + true - - + + :/stackicons/icons/stack_disorder.svg:/stackicons/icons/stack_disorder.svg - + Disorder - + Show / hide disordered builder window - - + + true - - + + :/build/icons/build_delete.svg:/build/icons/build_delete.svg - + Delete Atom - + Delete individual atoms - - - + + + :/bond/icons/bond_augment.svg:/bond/icons/bond_augment.svg - + Augment Bonding - - - + + + :/build/icons/build_ptable.svg:/build/icons/build_ptable.svg - + Pick Custom Element - - - + + + :/forcefield/icons/forcefield_minimise.svg:/forcefield/icons/forcefield_minimise.svg - + Minimise the current model - - - + + + :/forcefield/icons/forcefield_energy.svg:/forcefield/icons/forcefield_energy.svg - + Calculate total energy of the current model - - - + + + :/forcefield/icons/forcefield_forces.svg:/forcefield/icons/forcefield_forces.svg - + Calculate atomic forces in the current model - - + + About Qt - - + + About Aten - - + + Reload Filters - - - + + + :/geometry/icons/measure_list.svg:/geometry/icons/measure_list.svg - + List - + List Measurements - + List all measurements in the model - - + + Create Patterns - - + + Remove Patterns - - + + List Patterns - - + + true - - + + :/playback/icons/traj_view.svg:/playback/icons/traj_view.svg - + View Trajectory - + Toggle between parent model and trajectory frames - - + + Command Help - - + + Fix Position - - + + Free Position - - - + + + :/file/icons/file_save.svg:/file/icons/file_save.svg - + Save To File - - + + true - - + + :/stackicons/icons/stack_command.svg:/stackicons/icons/stack_command.svg - + Command/Scripts Window - - + + Set Bond Length - - + + Set Bond Angle - - + + Set Torsion Angle - - + + true - - + + :/stackicons/icons/stack_geometry.svg:/stackicons/icons/stack_geometry.svg - + Geometry - + Show / hide the atom geometry window - - + + Centre at Origin - + Ctrl+Alt+C - - + + true - - + + :/build/icons/build_fragment.svg:/build/icons/build_fragment.svg - + DrawFragment - + Draw using fragments from the fragment library - - + + true - - + + :/stackicons/icons/stack_fragment.svg:/stackicons/icons/stack_fragment.svg - + FragmentWindow - + Show / hide the Fragment Library - - + + true - - + + :/stackicons/icons/stack_glyphs.svg:/stackicons/icons/stack_glyphs.svg - + GlyphsWindow - + Show / hide the glyphs window - - + + Create Glyph - - + + true - - + + :/stackicons/icons/stack_md.svg:/stackicons/icons/stack_md.svg - + MolecularDynamics - + Show the Molecular Dynamics window - - + + true - - + + :/stackicons/icons/stack_zmatrix.svg:/stackicons/icons/stack_zmatrix.svg - + ZMatrix Editor - + Show the ZMatrix Editor - - + + E&xport Options - - + + true - + Velocity - - + + true - + Custom - - - + + + :/edit/icons/edit_paste.svg:/edit/icons/edit_paste.svg - + Paste &Translated - - + + false - - + + :/build/icons/build_transmutesel.svg:/build/icons/build_transmutesel.svg - + Transmute current atom selection - - + + &Select... - - + + true - - + + :/stackicons/icons/stack_select.svg:/stackicons/icons/stack_select.svg - + Atom Selection - + Show / hide atom selection window - - + + Create Expression - - + + Create Fragment - - + + true - - + + :/stackicons/icons/stack_vibrations.svg:/stackicons/icons/stack_vibrations.svg - + Build - + Show / hide vibrations window - + TTabBar @@ -2452,7 +2557,7 @@ - + diff --git a/src/main/version.h b/src/main/version.h index 1818b7856..a81271226 100644 --- a/src/main/version.h +++ b/src/main/version.h @@ -23,8 +23,8 @@ #define ATEN_VERSION_H #define ATENVERSION "1.6" -#define ATENREVISION "1299" -#define ATENDATE "Mon 04 Oct - 13:26" +#define ATENREVISION "1300" +#define ATENDATE "Tue 05 Oct - 16:10" #define ATENURL "http://aten.googlecode.com/svn/trunk" #endif