コード例 #1
0
ファイル: GridPlaneProp.py プロジェクト: vcsrc/nanoengineer
    def setup(self):

        self.jig_attrs = self.grid_plane.copyable_attrs_dict(
        )  # Save the jig's attributes in case of Cancel.

        # Border color
        self.border_color = RGBf_to_QColor(
            self.grid_plane.normcolor
        )  # Used as default color by Color Chooser

        # Grid color
        self.grid_color = RGBf_to_QColor(
            self.grid_plane.grid_color
        )  # Used as default color by Color Chooser

        self.grid_color_pixmap = get_widget_with_color_palette(
            self.grid_color_pixmap, self.grid_color)

        self.border_color_pixmap = get_widget_with_color_palette(
            self.border_color_pixmap, self.border_color)

        self.name_linedit.setText(self.grid_plane.name)

        self.width_spinbox.setValue(self.grid_plane.width)
        self.height_spinbox.setValue(self.grid_plane.height)
        self.x_spacing_spinbox.setValue(self.grid_plane.x_spacing)
        self.y_spacing_spinbox.setValue(self.grid_plane.y_spacing)

        self.grid_type_combox.setCurrentIndex(self.grid_plane.grid_type)
        self.line_type_combox.setCurrentIndex(self.grid_plane.line_type)

        self._set_xyspacing_enabled(self.grid_plane.grid_type)
コード例 #2
0
    def setup(self):
        
        self.jig_attrs = self.grid_plane.copyable_attrs_dict() # Save the jig's attributes in case of Cancel.
        
        # Border color
        self.border_color = RGBf_to_QColor(self.grid_plane.normcolor) # Used as default color by Color Chooser
                
        # Grid color
        self.grid_color = RGBf_to_QColor(self.grid_plane.grid_color) # Used as default color by Color Chooser
 
        self.grid_color_pixmap = get_widget_with_color_palette(
            self.grid_color_pixmap, self.grid_color)
        
        self.border_color_pixmap = get_widget_with_color_palette(
            self.border_color_pixmap,self.border_color)
        
        self.name_linedit.setText(self.grid_plane.name)
        
        self.width_spinbox.setValue(self.grid_plane.width)
        self.height_spinbox.setValue(self.grid_plane.height)
        self.x_spacing_spinbox.setValue(self.grid_plane.x_spacing)
        self.y_spacing_spinbox.setValue(self.grid_plane.y_spacing)
        
        self.grid_type_combox.setCurrentIndex(self.grid_plane.grid_type)
        self.line_type_combox.setCurrentIndex(self.grid_plane.line_type)
        
        self._set_xyspacing_enabled(self.grid_plane.grid_type)
コード例 #3
0
    def change_jig_color(self):
        """Slot method to change the jig's color."""
        color = QColorDialog.getColor(self.jig_QColor, self)

        if color.isValid():
            self.jig_QColor = color
            self.jig_color_pixmap = get_widget_with_color_palette(self.jig_color_pixmap, self.jig_QColor)
            self.jig.color = self.jig.normcolor = QColor_to_RGBf(color)
            self.glpane.gl_update()
コード例 #4
0
    def change_grid_color(self):
        '''Slot method to change grid color.'''
        color = QColorDialog.getColor(self.grid_color, self)

        if color.isValid():
            self.grid_color = color
            self.grid_color_pixmap = get_widget_with_color_palette(
                self.grid_color_pixmap, self.grid_color)
            self.grid_plane.grid_color = QColor_to_RGBf(color)
            self.glpane.gl_update()
コード例 #5
0
    def change_jig_color(self):
        '''Slot method to change the jig's color.'''
        color = QColorDialog.getColor(self.jig_QColor, self)

        if color.isValid():
            self.jig_QColor = color
            self.jig_color_pixmap = get_widget_with_color_palette(
                self.jig_color_pixmap, self.jig_QColor)
            self.jig.color = self.jig.normcolor = QColor_to_RGBf(color)
            self.glpane.gl_update()
コード例 #6
0
    def change_grid_color(self):
        '''Slot method to change grid color.'''
        color = QColorDialog.getColor(self.grid_color, self)

        if color.isValid():            
            self.grid_color = color
            self.grid_color_pixmap = get_widget_with_color_palette(
            self.grid_color_pixmap, self.grid_color)
            self.grid_plane.grid_color = QColor_to_RGBf(color)
            self.glpane.gl_update()
コード例 #7
0
    def change_border_color(self):
        '''Slot method change border color.'''
        color = QColorDialog.getColor(self.border_color, self)

        if color.isValid():
            self.border_color = color
            self.border_color_pixmap = get_widget_with_color_palette(
                self.border_color_pixmap,self.border_color)
            self.grid_plane.color = self.grid_plane.normcolor = QColor_to_RGBf(color)
            self.glpane.gl_update()
コード例 #8
0
    def change_border_color(self):
        '''Slot method change border color.'''
        color = QColorDialog.getColor(self.border_color, self)

        if color.isValid():
            self.border_color = color
            self.border_color_pixmap = get_widget_with_color_palette(
                self.border_color_pixmap, self.border_color)
            self.grid_plane.color = self.grid_plane.normcolor = QColor_to_RGBf(
                color)
            self.glpane.gl_update()
コード例 #9
0
    def setup(self):

        #Default state for atoms selection
        self.selected = False

        self.jig_attrs = self.jig.copyable_attrs_dict(
        )  # Save the jig's attributes in case of Cancel.

        # Jig color
        self.fill_QColor = RGBf_to_QColor(
            self.jig.fill_color)  # Used as default color by Color Chooser
        self.border_QColor = RGBf_to_QColor(
            self.jig.normcolor)  # Used as default color by Color Chooser

        self.fill_color_pixmap = get_widget_with_color_palette(
            self.fill_color_pixmap, self.fill_QColor)

        self.border_color_pixmap = get_widget_with_color_palette(
            self.border_color_pixmap, self.border_QColor)

        self.name_linedit.setText(self.jig.name)
        self.width_linedit.setText(str(self.jig.width))
        self.image_offset_linedit.setText(str(self.jig.image_offset))
        self.edge_offset_linedit.setText(str(self.jig.edge_offset))
        self.resolution_spinbox.setValue(self.jig.resolution)

        self.show_esp_bbox_checkbox.setChecked(self.jig.show_esp_bbox)

        opacity = '%1.2f ' % self.jig.opacity
        self.opacity_linedit.setText(opacity)
        self.opacity_slider.setValue(int(self.jig.opacity * 100))

        self.highlight_atoms_in_bbox_checkbox.setChecked(
            self.jig.highlightChecked)
        self._updateSelectButtonText()

        self.xaxis_spinbox.setValue(self.jig.xaxis_orient)
        self.yaxis_spinbox.setValue(self.jig.yaxis_orient)

        self.png_fname_linedit.setText(self.jig.espimage_file)
コード例 #10
0
    def change_fill_color(self):
        """
        Slot method to change fill color.
        """
        color = QColorDialog.getColor(self.fill_QColor, self)

        if color.isValid():            
            self.fill_QColor = color
            self.fill_color_pixmap = get_widget_with_color_palette(
                self.fill_color_pixmap, self.fill_QColor)
            
            self.jig.fill_color = QColor_to_RGBf(color)
            self.glpane.gl_update()
コード例 #11
0
    def setup(self):

        self.jig_attrs = self.jig.copyable_attrs_dict() # Save the jig's attributes in case of Cancel.

        # Jig color
        self.jig_QColor = RGBf_to_QColor(self.jig.normcolor) # Used as default color by Color Chooser
        self.jig_color_pixmap = get_widget_with_color_palette(
                self.jig_color_pixmap, self.jig_QColor)

        # Jig name
        self.nameLineEdit.setText(self.jig.name)

        self.molnameLineEdit.setText(self.jig.atoms[0].molecule.name)
コード例 #12
0
ファイル: ESPImageProp.py プロジェクト: elfion/nanoengineer
 def setup(self):
     
     #Default state for atoms selection
     self.selected = False        
     
     self.jig_attrs = self.jig.copyable_attrs_dict() # Save the jig's attributes in case of Cancel.
     
     # Jig color
     self.fill_QColor = RGBf_to_QColor(self.jig.fill_color) # Used as default color by Color Chooser
     self.border_QColor = RGBf_to_QColor(self.jig.normcolor) # Used as default color by Color Chooser
     
     self.fill_color_pixmap = get_widget_with_color_palette(
         self.fill_color_pixmap, self.fill_QColor)
     
     self.border_color_pixmap = get_widget_with_color_palette(
         self.border_color_pixmap,self.border_QColor)
     
     
     self.name_linedit.setText(self.jig.name)
     self.width_linedit.setText(str(self.jig.width))
     self.image_offset_linedit.setText(str(self.jig.image_offset))
     self.edge_offset_linedit.setText(str(self.jig.edge_offset))
     self.resolution_spinbox.setValue(self.jig.resolution)
     
     self.show_esp_bbox_checkbox.setChecked(self.jig.show_esp_bbox)
     
     opacity = '%1.2f ' % self.jig.opacity
     self.opacity_linedit.setText(opacity)
     self.opacity_slider.setValue(int (self.jig.opacity * 100))
     
     self.highlight_atoms_in_bbox_checkbox.setChecked(self.jig.highlightChecked)
     self._updateSelectButtonText()
     
     self.xaxis_spinbox.setValue(self.jig.xaxis_orient)
     self.yaxis_spinbox.setValue(self.jig.yaxis_orient)
     
     self.png_fname_linedit.setText(self.jig.espimage_file)
コード例 #13
0
 def setup(self):
     
     self.jig_attrs = self.jig.copyable_attrs_dict() # Save the jig's attributes in case of Cancel.
     
     # Jig color
     self.jig_QColor = RGBf_to_QColor(self.jig.normcolor) # Used as default color by Color Chooser
     self.jig_color_pixmap = get_widget_with_color_palette(
         self.jig_color_pixmap, self.jig_QColor)
     self.nameLineEdit.setText(self.jig.name)
     self.stiffnessLineEdit.setText(str(self.jig.stiffness))
     self.forceLineEdit.setText(str(self.jig.force))
     self.lengthLineEdit.setText(str(self.jig.length))
     self.widthLineEdit.setText(str(self.jig.width))
     self.sradiusLineEdit.setText(str(self.jig.sradius)) # spoke radius
     self.enable_minimize_checkbox.setChecked(self.jig.enable_minimize)
コード例 #14
0
    def setup(self):
        """
        Initializes the dialog and it's widgets 
        """
        
        # Save the jig's attributes in case of Cancel.
        self.jig_attrs = self.jig.copyable_attrs_dict() 
        
        # Jig color
        # Used as default color by Color Chooser
        self.jig_QColor = RGBf_to_QColor(self.jig.normcolor) 
        self.jig_color_pixmap = get_widget_with_color_palette(
            self.jig_color_pixmap, self.jig_QColor)

        # Jig name
        self.nameLineEdit.setText(self.jig.name)
コード例 #15
0
    def setup(self):

        self.jig_attrs = self.jig.copyable_attrs_dict()  # Save the jig's attributes in case of Cancel.

        # Jig color
        self.jig_QColor = RGBf_to_QColor(self.jig.normcolor)  # Used as default color by Color Chooser
        self.jig_color_pixmap = get_widget_with_color_palette(self.jig_color_pixmap, self.jig_QColor)

        self.nameLineEdit.setText(self.jig.name)
        self.torqueLineEdit.setText(str(self.jig.torque))
        self.initialSpeedLineEdit.setText(str(self.jig.initial_speed))
        self.speedLineEdit.setText(str(self.jig.speed))
        self.lengthLineEdit.setText(str(self.jig.length))
        self.radiusLineEdit.setText(str(self.jig.radius))
        self.sradiusLineEdit.setText(str(self.jig.sradius))  # spoke radius
        self.enable_minimize_checkbox.setChecked(self.jig.enable_minimize)
        self.dampers_checkbox.setChecked(self.jig.dampers_enabled)  # mark & bruce 060421
コード例 #16
0
    def setup(self):

        self.jig_attrs = self.jig.copyable_attrs_dict(
        )  # Save the jig's attributes in case of Cancel.

        # Jig color
        self.jig_QColor = RGBf_to_QColor(
            self.jig.normcolor)  # Used as default color by Color Chooser
        self.jig_color_pixmap = get_widget_with_color_palette(
            self.jig_color_pixmap, self.jig_QColor)

        self.nameLineEdit.setText(self.jig.name)
        self.torqueLineEdit.setText(str(self.jig.torque))
        self.initialSpeedLineEdit.setText(str(self.jig.initial_speed))
        self.speedLineEdit.setText(str(self.jig.speed))
        self.lengthLineEdit.setText(str(self.jig.length))
        self.radiusLineEdit.setText(str(self.jig.radius))
        self.sradiusLineEdit.setText(str(self.jig.sradius))  # spoke radius
        self.enable_minimize_checkbox.setChecked(self.jig.enable_minimize)
        self.dampers_checkbox.setChecked(
            self.jig.dampers_enabled)  # mark & bruce 060421
コード例 #17
0
ファイル: GamessProp.py プロジェクト: elfion/nanoengineer
    def _setup(self):
        """ 
        Setup widgets to initial (default or defined) values. Return True on error.
        """
        #To fix bug 684
        #if gamess.is_disabled():
        #    self.run_job_btn.setEnabled(False)
        #else:
        #    self.run_job_btn.setEnabled(True)

        self.jig_attrs = self.gamessJig.copyable_attrs_dict(
        )  # Save the jig's attributes in case of Cancel.

        # Jig color
        self.original_normcolor = self.gamessJig.normcolor
        self.jig_QColor = RGBf_to_QColor(
            self.gamessJig.normcolor)  # Used as default color by Color Chooser
        self.jig_color_pixmap = get_widget_with_color_palette(
            self.jig_color_pixmap, self.jig_QColor)

        # Init the top widgets (name, runtyp drop box, comment)
        self.name_linedit.setText(self.gamessJig.name)
        self.runtyp_combox.setCurrentIndex(self.pset.ui.runtyp)  # RUNTYP
        self.calculate_changed(self.pset.ui.runtyp)
        self.comment_linedit.setText(self.pset.ui.comment)

        # Electronic Structure Properties section.
        btn = self.scftyp_btngrp.button(
            self.pset.ui.scftyp)  # RHF, UHF, or ROHF
        btn.setChecked(True)
        self.icharg_spinbox.setValue(self.pset.ui.icharg)  # Charge
        self.multi_combox.setCurrentIndex(self.pset.ui.mult)  # Multiplicity
        # Disable RHF if multiplicity is not the first item.
        if self.pset.ui.mult == 0:
            self.rhf_radiobtn.setEnabled(1)  # Enable RHF
        else:
            self.rhf_radiobtn.setEnabled(0)  # Disable RHF

        # System Memory and Usage
        self.dirscf_checkbox.setChecked(self.pset.ui.dirscf)  # DIRSCF
        self.memory_spinbox.setValue(self.pset.ui.memory)  # Memory

        # Electron Correlation Method and Basis Set
        ecm = self.pset.ui.ecm
        btn = self.ecm_btngrp.button(self.pset.ui.ecm)  # None, DFT or MP2
        btn.setChecked(True)
        self.set_ecmethod(self.pset.ui.ecm)  # None, DFT or MP2
        self.gbasis_combox.setCurrentIndex(self.pset.ui.gbasis)  # Basis set

        # Load the combo box with all the valid DFT functions.
        self._load_dfttyp_combox()
        self.dfttyp_combox.setCurrentIndex(
            self.pset.ui.dfttyp)  # DFT Functional
        self.gridsize_combox.setCurrentIndex(
            self.pset.ui.gridsize)  # Grid Size
        self.core_electrons_checkbox.setChecked(
            self.pset.ui.ncore)  # Include core electrons

        # Convergence Criteria
        self.density_conv_combox.setCurrentIndex(
            self.pset.ui.conv)  # Density Convergence
        self.rmsd_combox.setCurrentIndex(
            self.pset.ui.rmsdconv)  # RMSD Convergence
        self.iterations_spinbox.setValue(self.pset.ui.iterations)  # Iterations

        # These have been removed per discussions with Damian.
        # Mark 050628
        #        self.extrap_checkbox.setChecked(self.pset.ui.extrap) # EXTRAP
        #        self.damp_checkbox.setChecked(self.pset.ui.damp) # DAMP
        #        self.diis_checkbox.setChecked(self.pset.ui.diis) # DIIS
        #        self.shift_checkbox.setChecked(self.pset.ui.shift) # SHIFT
        #        self.soscf_checkbox.setChecked(self.pset.ui.soscf) # SOSCF
        #        self.rstrct_checkbox.setChecked(self.pset.ui.rstrct) # RSTRCT

        # Load the server combo box
        #self._reloadServerList() # Not used in A6.  Mark.

        # If there is an error, return 1. NIY.
        return 0
コード例 #18
0
    def _setup(self):
        """
        Setup widgets to initial (default or defined) values. Return True on error.
        """
        #To fix bug 684
        #if gamess.is_disabled():
        #    self.run_job_btn.setEnabled(False)
        #else:
        #    self.run_job_btn.setEnabled(True)

        self.jig_attrs = self.gamessJig.copyable_attrs_dict() # Save the jig's attributes in case of Cancel.

        # Jig color
        self.original_normcolor = self.gamessJig.normcolor
        self.jig_QColor = RGBf_to_QColor(self.gamessJig.normcolor) # Used as default color by Color Chooser
        self.jig_color_pixmap = get_widget_with_color_palette(
                self.jig_color_pixmap, self.jig_QColor)

        # Init the top widgets (name, runtyp drop box, comment)
        self.name_linedit.setText(self.gamessJig.name)
        self.runtyp_combox.setCurrentIndex(self.pset.ui.runtyp) # RUNTYP
        self.calculate_changed(self.pset.ui.runtyp)
        self.comment_linedit.setText(self.pset.ui.comment)

        # Electronic Structure Properties section.
        btn = self.scftyp_btngrp.button(self.pset.ui.scftyp)# RHF, UHF, or ROHF
        btn.setChecked(True)
        self.icharg_spinbox.setValue(self.pset.ui.icharg) # Charge
        self.multi_combox.setCurrentIndex(self.pset.ui.mult) # Multiplicity
        # Disable RHF if multiplicity is not the first item.
        if self.pset.ui.mult == 0:
            self.rhf_radiobtn.setEnabled(1) # Enable RHF
        else:
            self.rhf_radiobtn.setEnabled(0) # Disable RHF

        # System Memory and Usage
        self.dirscf_checkbox.setChecked(self.pset.ui.dirscf) # DIRSCF
        self.memory_spinbox.setValue(self.pset.ui.memory) # Memory

        # Electron Correlation Method and Basis Set
        ecm = self.pset.ui.ecm
        btn = self.ecm_btngrp.button(self.pset.ui.ecm)# None, DFT or MP2
        btn.setChecked(True)
        self.set_ecmethod(self.pset.ui.ecm) # None, DFT or MP2
        self.gbasis_combox.setCurrentIndex(self.pset.ui.gbasis) # Basis set

        # Load the combo box with all the valid DFT functions.
        self._load_dfttyp_combox()
        self.dfttyp_combox.setCurrentIndex(self.pset.ui.dfttyp) # DFT Functional
        self.gridsize_combox.setCurrentIndex(self.pset.ui.gridsize) # Grid Size
        self.core_electrons_checkbox.setChecked(self.pset.ui.ncore) # Include core electrons

        # Convergence Criteria
        self.density_conv_combox.setCurrentIndex(self.pset.ui.conv) # Density Convergence
        self.rmsd_combox.setCurrentIndex(self.pset.ui.rmsdconv) # RMSD Convergence
        self.iterations_spinbox.setValue(self.pset.ui.iterations) # Iterations

# These have been removed per discussions with Damian.
# Mark 050628
#        self.extrap_checkbox.setChecked(self.pset.ui.extrap) # EXTRAP
#        self.damp_checkbox.setChecked(self.pset.ui.damp) # DAMP
#        self.diis_checkbox.setChecked(self.pset.ui.diis) # DIIS
#        self.shift_checkbox.setChecked(self.pset.ui.shift) # SHIFT
#        self.soscf_checkbox.setChecked(self.pset.ui.soscf) # SOSCF
#        self.rstrct_checkbox.setChecked(self.pset.ui.rstrct) # RSTRCT

        # Load the server combo box
        #self._reloadServerList() # Not used in A6.  Mark.

        # If there is an error, return 1. NIY.
        return 0