diff --git a/modules/gfx/pymod/export_entity.cc b/modules/gfx/pymod/export_entity.cc
index e8d78cd325e651d3c42968ba631d4bfa5e98c0f9..990894fd86b1d17684b82aecf5d727d8e30b7d95 100644
--- a/modules/gfx/pymod/export_entity.cc
+++ b/modules/gfx/pymod/export_entity.cc
@@ -38,6 +38,16 @@ void color_by_chain_02(Entity* e, const String& selection)
e->ColorByChain(selection);
}
+void color_by_element_01(Entity* e)
+{
+ e->ColorByElement();
+}
+
+void color_by_element_02(Entity* e, const String& selection)
+{
+ e->ColorByElement(selection);
+}
+
void color_by_01(Entity* e,
const String& prop,
const Gradient& gradient,
@@ -102,6 +112,14 @@ void color_by_08(Entity* e,
e->ColorBy(prop,c1,c2);
}
+void color_by_09(Entity* e,
+ const String& prop,
+ const Gradient& gradient,
+ const String& selection)
+{
+ e->ColorBy(prop,gradient,selection);
+}
+
// temporary, see comment in gfx/entity.hh
void detail_color_by_02(Entity* e,
const String& prop,
@@ -308,6 +326,7 @@ void export_Entity()
.def("ColorBy", color_by_06)
.def("ColorBy", color_by_07)
.def("ColorBy", color_by_08)
+ .def("ColorBy", color_by_09)
.def("DetailColorBy", detail_color_by_02)
COLOR_BY_DEF()
.def("RadiusBy", radius_by_01)
@@ -317,7 +336,8 @@ void export_Entity()
.def("ResetRadiusBy", &Entity::ResetRadiusBy)
.def("PickAtom", &Entity::PickAtom)
.def("PickBond", &Entity::PickBond)
- .def("ColorByElement",&Entity::ColorByElement)
+ .def("ColorByElement", color_by_element_01)
+ .def("ColorByElement", color_by_element_02)
.def("ColorByChain", color_by_chain_01)
.def("ColorByChain", color_by_chain_02)
.def("CleanColorOps", &Entity::CleanColorOps)
diff --git a/modules/gfx/src/entity.cc b/modules/gfx/src/entity.cc
index 9111b9140339093991131ab7a828630f126fa71f..d91dd041ea6eea867eb5957c7826ffc51ac3eeb3 100644
--- a/modules/gfx/src/entity.cc
+++ b/modules/gfx/src/entity.cc
@@ -786,6 +786,12 @@ void Entity::ColorByElement()
this->Apply(cop);
}
+void Entity::ColorByElement(const String& selection)
+{
+ ByElementColorOp cop = ByElementColorOp(selection);
+ this->Apply(cop);
+}
+
void Entity::ColorByChain()
{
ByChainColorOp cop = ByChainColorOp();
@@ -854,6 +860,14 @@ void Entity::ColorBy(const String& prop,
this->Apply(glop);
}
+void Entity::ColorBy(const String& prop,
+ const Gradient& gradient,
+ const String& selection)
+{
+ GradientLevelColorOp glop = GradientLevelColorOp(selection,prop,gradient);
+ this->Apply(glop);
+}
+
mol::EntityView Entity::GetView() const
{
do_update_view();
diff --git a/modules/gfx/src/entity.hh b/modules/gfx/src/entity.hh
index 328b4852eb36b593ef1ec32ba397a1cca7b786ef..e7ea96d92d7ab00110e155699ca934509e293758 100644
--- a/modules/gfx/src/entity.hh
+++ b/modules/gfx/src/entity.hh
@@ -174,6 +174,9 @@ public:
/// \brief color by element
void ColorByElement();
+ /// \brief color by element for a specific selection
+ void ColorByElement(const String& selection);
+
/// \brief color by chain
void ColorByChain();
@@ -229,6 +232,11 @@ public:
const Gradient& gradient,
mol::Prop::Level hint=mol::Prop::UNSPECIFIED);
+ // convenience
+ void ColorBy(const String& prop,
+ const Gradient& gradient,
+ const String& selection);
+
// convenience
void ColorBy(const String& prop,
const Color& c1, const Color& c2,
diff --git a/modules/gui/pymod/scene/color_options_widget.py b/modules/gui/pymod/scene/color_options_widget.py
index fb176038843e7649ad556088c5a85a84762b26bc..13e33f7c68c52e17e858d5e8d0aa356a8433c08c 100644
--- a/modules/gui/pymod/scene/color_options_widget.py
+++ b/modules/gui/pymod/scene/color_options_widget.py
@@ -41,18 +41,26 @@ class ColorOptionsWidget(ComboOptionsWidget):
#Title
self.text_ = "Color Options"
+ conly_label_ = QtGui.QLabel('carbons only')
+ self.conly_box_ = QtGui.QCheckBox()
#Add options to menu
self.entity_widgets_ = list()
- self.entity_widgets_.append(["Color by Element", ByElementWidget("Color by Element")])
- self.entity_widgets_.append(["Color by Chain", ByChainWidget("Color by Chain")])
- self.entity_widgets_.append(["Color by Entity", ByEntityWidget("Color by Entity")])
- self.entity_widgets_.append(["Color by Property", GradientEditor()])
- self.entity_widgets_.append(["Uniform",UniformColorWidget()])
+ self.entity_widgets_.append(["Color by Element", ByElementWidget("Color by Element", self)])
+ self.entity_widgets_.append(["Color by Chain", ByChainWidget("Color by Chain", self)])
+ self.entity_widgets_.append(["Color by Entity", ByEntityWidget("Color by Entity", self)])
+ self.entity_widgets_.append(["Color by Property", GradientEditor(self)])
+ self.entity_widgets_.append(["Uniform",UniformColorWidget(self)])
self.img_widgets_ = list()
self.img_widgets_.append(["Uniform",UniformColorWidget()])
+ qw = QtGui.QWidget(self)
+ gl = QtGui.QGridLayout(qw)
+ gl.addWidget(self.conly_box_, 0, 0, 1, 1)
+ gl.addWidget(conly_label_, 0, 1, 1, 4)
+ self.grid_layout_.addWidget(qw, 2, 0, 1, 1)
+
self.setMinimumSize(250,200)
def OnComboChange(self, item):
@@ -99,11 +107,16 @@ class ColorOptionsWidget(ComboOptionsWidget):
def GetText(self):
return self.text_
+
+ def GetCarbonsOnly(self):
+ return self.conly_box_.isChecked()
class ByElementWidget(QtGui.QWidget):
def __init__(self, text, parent=None):
QtGui.QWidget.__init__(self, parent)
+ self.parent_ = parent
+
#Title
self.text_ = text
@@ -126,7 +139,10 @@ class ByElementWidget(QtGui.QWidget):
def ChangeColor(self, node):
if isinstance(node, gfx.Entity):
node.CleanColorOps()
- node.ColorByElement()
+ if self.parent_.GetCarbonsOnly():
+ node.ColorByElement("ele=C")
+ else:
+ node.ColorByElement()
def ChangeViewColor(self, entity, view):
if isinstance(entity, gfx.Entity) and isinstance(view, mol.EntityView):
@@ -140,6 +156,7 @@ class ByElementWidget(QtGui.QWidget):
class ByChainWidget(QtGui.QWidget):
def __init__(self, text, parent=None):
QtGui.QWidget.__init__(self, parent)
+ self.parent_ = parent
#Title
self.text_ = text
@@ -149,13 +166,8 @@ class ByChainWidget(QtGui.QWidget):
font = text_label.font()
font.setBold(True)
- conly_label = QtGui.QLabel('carbons only')
- self.conly_box = QtGui.QCheckBox()
-
grid = QtGui.QGridLayout()
grid.addWidget(text_label,0,0,1,1)
- grid.addWidget(self.conly_box, 1,0,1,1)
- grid.addWidget(conly_label, 1,1,1,3)
grid.setRowStretch(2,1)
self.setLayout(grid)
self.setMinimumSize(250,60)
@@ -166,12 +178,11 @@ class ByChainWidget(QtGui.QWidget):
def ChangeColor(self, node):
if isinstance(node, gfx.Entity):
node.CleanColorOps()
- if self.conly_box.isChecked():
+ if self.parent_.GetCarbonsOnly():
node.ColorByChain('ele=C')
else:
node.ColorByChain()
-
def ChangeViewColor(self, entity, view):
if isinstance(entity, gfx.Entity) and isinstance(view, mol.EntityView):
bco=gfx.ByChainColorOp(mol.QueryViewWrapper(view))
@@ -183,6 +194,7 @@ class ByChainWidget(QtGui.QWidget):
class ByEntityWidget(QtGui.QWidget):
def __init__(self, text, parent=None):
QtGui.QWidget.__init__(self, parent)
+ self.parent_ = parent
#Title
self.text_ = text
@@ -192,13 +204,8 @@ class ByEntityWidget(QtGui.QWidget):
font = text_label.font()
font.setBold(True)
- conly_label = QtGui.QLabel('carbons only')
- self.conly_box = QtGui.QCheckBox()
-
grid = QtGui.QGridLayout()
grid.addWidget(text_label,0,0,1,1)
- grid.addWidget(self.conly_box, 1,0,1,1)
- grid.addWidget(conly_label, 1,1,1,3)
grid.setRowStretch(2,1)
self.setLayout(grid)
self.setMinimumSize(250,60)
@@ -217,7 +224,7 @@ class ByEntityWidget(QtGui.QWidget):
else:
color=self.gradient_.GetColorAt(float(i) / entity_count)
node = scene_selection.GetActiveNode(i)
- if self.conly_box.isChecked():
+ if self.parent_.GetCarbonsOnly():
node.SetColor(color, 'ele=C')
else:
node.SetColor(color)
diff --git a/modules/gui/pymod/scene/gradient_editor_widget.py b/modules/gui/pymod/scene/gradient_editor_widget.py
index d4d1882481c677f37666ecf62ab9764619bcbe43..3c5b8629433707548bab7453d7592df57a1e6aab 100644
--- a/modules/gui/pymod/scene/gradient_editor_widget.py
+++ b/modules/gui/pymod/scene/gradient_editor_widget.py
@@ -29,6 +29,7 @@ from gradient_preset_widget import GradientPresetWidget
class GradientEditor(QtGui.QWidget):
def __init__(self, parent=None):
QtGui.QWidget.__init__(self, parent)
+ self.parent_ = parent
#Create Ui elements
gradient_label = QtGui.QLabel("Gradient Editor")
@@ -80,9 +81,13 @@ class GradientEditor(QtGui.QWidget):
def ChangeColor(self,node):
if isinstance(node, gfx.Entity) or isinstance(node, gfx.Surface):
node.CleanColorOps()
- node.ColorBy(self.props[self.prop_combo_box_.currentIndex()],
+ if self.parent_.GetCarbonsOnly():
+ node.ColorBy(self.props[self.prop_combo_box_.currentIndex()],
+ self.gradient_edit_.GetGfxGradient(), "ele=C")
+ else:
+ node.ColorBy(self.props[self.prop_combo_box_.currentIndex()],
self.gradient_edit_.GetGfxGradient())
-
+
def ChangeViewColor(self, entity, view):
if isinstance(entity, gfx.Entity) and isinstance(view, mol.EntityView):
glco=gfx.GradientLevelColorOp(mol.QueryViewWrapper(view),self.props[self.prop_combo_box_.currentIndex()],self.gradient_edit_.GetGfxGradient(),mol.Prop.Level.UNSPECIFIED)
diff --git a/modules/gui/pymod/scene/uniform_color_widget.py b/modules/gui/pymod/scene/uniform_color_widget.py
index 29bc7cf9f6e1fcccf72c6bcbdda6e1ae508902d3..db8e5346f3276fac962da07868670c88149e2f88 100644
--- a/modules/gui/pymod/scene/uniform_color_widget.py
+++ b/modules/gui/pymod/scene/uniform_color_widget.py
@@ -34,6 +34,7 @@ from color_select_widget import ColorSelectWidget
class UniformColorWidget(QtGui.QWidget):
def __init__(self, parent=None):
QtGui.QWidget.__init__(self, parent)
+ self.parent_ = parent
self.text_ = "Uniform Color"
@@ -42,9 +43,6 @@ class UniformColorWidget(QtGui.QWidget):
font = uniform_label.font()
font.setBold(True)
- conly_label = QtGui.QLabel('carbons only')
- self.conly_box = QtGui.QCheckBox()
-
self.color_select_widget_ = ColorSelectWidget(1,1,QtGui.QColor("White"))
top_layout = QtGui.QVBoxLayout()
@@ -56,9 +54,6 @@ class UniformColorWidget(QtGui.QWidget):
grid.setColumnStretch(0,1)
grid.setColumnStretch(2,1)
- grid.addWidget(self.conly_box, 4,0)
- grid.addWidget(conly_label, 4,1)
-
top_layout.addWidget(uniform_label)
top_layout.addLayout(grid)
self.setLayout(top_layout)
@@ -92,7 +87,7 @@ class UniformColorWidget(QtGui.QWidget):
gfx_color = self.color_select_widget_.GetGfxColor()
if isinstance(node, gfx.Entity) or isinstance(node, gfx.Surface):
node.CleanColorOps()
- if self.conly_box.isChecked():
+ if self.parent_.GetCarbonsOnly():
node.SetColor(gfx_color,"ele=C")
else:
node.SetColor(gfx_color,"")