is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source version.
| volume.py (pymol-v2.1.0.tar.bz2) | : | volume.py (pymol-open-source-2.2.0) |
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| skipping to change at line 45 | | skipping to change at line 45 |
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| VOLUME_HELP = ''' | | VOLUME_HELP = ''' |
| VOLUME PANEL HELP | | VOLUME PANEL HELP |
| | |
| -------------------------------------------------- | | -------------------------------------------------- |
| Canvas Mouse Actions (no Point under Cursor) | | Canvas Mouse Actions (no Point under Cursor) |
| | |
| L-Click Add point | | L-Click Add point |
| CTRL+L-Click Add 3 points (isosurface) | | CTRL+L-Click Add 3 points (isosurface) |
| | |
|
| | CTRL+R-Drag Zoom in |
| | |
| -------------------------------------------------- | | -------------------------------------------------- |
| Mouse Actions with Point under Cursor | | Mouse Actions with Point under Cursor |
| | |
| L-Click Edit point color | | L-Click Edit point color |
| R-Click Edit point value | | R-Click Edit point value |
| SHIFT+R-Click Edit point opacity | | SHIFT+R-Click Edit point opacity |
| CTRL+L-Click Edit color of 3 points | | CTRL+L-Click Edit color of 3 points |
| | |
| M-Click Remove Point | | M-Click Remove Point |
| SHIFT+L-Click Remove Point | | SHIFT+L-Click Remove Point |
| CTRL+M-Click Remove 3 points | | CTRL+M-Click Remove 3 points |
| CTRL+SHIFT+L-Click Remove 3 points | | CTRL+SHIFT+L-Click Remove 3 points |
| | |
| L-Drag Move point | | L-Drag Move point |
| CTRL+L-Drag Move 3 points (horizontal only) | | CTRL+L-Drag Move 3 points (horizontal only) |
| R-Drag Move point along one axis only | | R-Drag Move point along one axis only |
| | |
|
| CTRL+R-Drag Zoom in | | |
| | | |
| -------------------------------------------------- | | -------------------------------------------------- |
| L = Left mouse button | | L = Left mouse button |
| M = Middle mouse button | | M = Middle mouse button |
| R = Right mouse button | | R = Right mouse button |
| | |
| -------------------------------------------------- | | -------------------------------------------------- |
| See also the "volume_color" command for getting and | | See also the "volume_color" command for getting and |
| setting volume colors on the command line. | | setting volume colors on the command line. |
| ''' | | ''' |
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| skipping to change at line 276 | | skipping to change at line 276 |
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| # disabled: always use default style | | # disabled: always use default style |
| is_floating = True # self.parent().parent().isFloating() | | is_floating = True # self.parent().parent().isFloating() |
| self.line_color = Qt.darkGray if is_floating else Qt.lightGray | | self.line_color = Qt.darkGray if is_floating else Qt.lightGray |
| | |
| painter.begin(self) | | painter.begin(self) |
| painter.setRenderHint(QtGui.QPainter.Antialiasing) | | painter.setRenderHint(QtGui.QPainter.Antialiasing) |
| self.paintGrid(painter, self.paint_rect) | | self.paintGrid(painter, self.paint_rect) |
| self.paintAxes(painter, self.paint_rect) | | self.paintAxes(painter, self.paint_rect) |
| painter.setClipRect(self.paint_rect) | | painter.setClipRect(self.paint_rect) |
| self.paintHistogram(painter, self.paint_rect) | | self.paintHistogram(painter, self.paint_rect) |
|
| self.paintZoomArea(painter, self.paint_rect) | | |
| painter.setClipping(False) | | painter.setClipping(False) |
| self.paintColorDots(painter, self.paint_rect) | | self.paintColorDots(painter, self.paint_rect) |
|
| | self.paintZoomArea(painter, self.paint_rect) |
| painter.end() | | painter.end() |
| | |
| def enterValue(self, title, value, min_value, max_value): | | def enterValue(self, title, value, min_value, max_value): |
| """ | | """ |
| Handles entering new values into alpha / min / max boxes. | | Handles entering new values into alpha / min / max boxes. |
| """ | | """ |
| new_value, status = QtWidgets.QInputDialog.getDouble( | | new_value, status = QtWidgets.QInputDialog.getDouble( |
| self, "", title, value, min_value, max_value, decimals=6) | | self, "", title, value, min_value, max_value, decimals=6) |
| if status: | | if status: |
| return new_value | | return new_value |
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| skipping to change at line 319 | | skipping to change at line 319 |
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| return | | return |
| | |
| if self.paint_rect.adjusted( | | if self.paint_rect.adjusted( |
| -DOT_RADIUS, -DOT_RADIUS, DOT_RADIUS, DOT_RADIUS).contains( | | -DOT_RADIUS, -DOT_RADIUS, DOT_RADIUS, DOT_RADIUS).contains( |
| event.pos()): | | event.pos()): |
| self.dragged = False | | self.dragged = False |
| self.point = self.findPoint(event.pos()) | | self.point = self.findPoint(event.pos()) |
| self.init_pos = event.pos() | | self.init_pos = event.pos() |
| self.zoom_pos = None | | self.zoom_pos = None |
| self.constraint = None | | self.constraint = None |
|
| if self.point > 0 and event.button() == Qt.RightButton: | | if self.point < 0 and event.button() == Qt.LeftButton: |
| | self.addPoint( |
| | event.pos(), event.modifiers() == Qt.ControlModifier) |
| | # suppress color picker |
| | self.dragged = True |
| | |
| | def mouseReleaseEvent(self, event): |
| | if not self.dragged and self.point >= 0: |
| | if event.button() == Qt.RightButton: |
| x, y, r, g, b = self.points[self.point] | | x, y, r, g, b = self.points[self.point] |
|
| if event.modifiers() == Qt.ControlModifier: | | # in 2.0: help says NoModifier, implemented is ControlModifier |
| | if event.modifiers() in (Qt.ControlModifier, Qt.NoModifier): |
| value = self.points[self.point][0] | | value = self.points[self.point][0] |
| prev_x = self.points[self.point-1][0] if self.point > 0 else
self.vmin | | prev_x = self.points[self.point-1][0] if self.point > 0 else
self.vmin |
| next_x = self.points[self.point+1][0] if self.point < len(se
lf.points)-1 else self.vmax | | next_x = self.points[self.point+1][0] if self.point < len(se
lf.points)-1 else self.vmax |
| x = self.enterValue("Data value", | | x = self.enterValue("Data value", |
| value, prev_x, next_x) | | value, prev_x, next_x) |
| elif event.modifiers() == Qt.ShiftModifier: | | elif event.modifiers() == Qt.ShiftModifier: |
| value = self.points[self.point][1] | | value = self.points[self.point][1] |
| y = self.enterValue("Alpha value (opacity)", | | y = self.enterValue("Alpha value (opacity)", |
| value, 0.0, 1.0) | | value, 0.0, 1.0) |
| self.points[self.point] = (x, y, r, g, b) | | self.points[self.point] = (x, y, r, g, b) |
| self.repaint() | | self.repaint() |
| if self.real_time: | | if self.real_time: |
| self.updateVolumeColors() | | self.updateVolumeColors() |
| if (event.button() == Qt.MidButton or | | if (event.button() == Qt.MidButton or |
| (event.button() == Qt.LeftButton and | | (event.button() == Qt.LeftButton and |
|
| event.modifiers() == Qt.ShiftModifier)): | | event.modifiers() & Qt.ShiftModifier)): |
| self.removePoints( | | self.removePoints( |
|
| event.modifiers() == Qt.ControlModifier) | | event.modifiers() & Qt.ControlModifier) |
| elif (event.button() == Qt.LeftButton and self.point < 0): | | elif event.button() == Qt.LeftButton: |
| self.addPoint( | | self.setPointColor(self.point, |
| event.pos(), event.modifiers() == Qt.ControlModifier) | | event.modifiers() == Qt.ControlModifier) |
| self.dragged = True | | |
| | |
|
| def mouseReleaseEvent(self, event): | | |
| self.point = -1 | | self.point = -1 |
| self.hover_point = -1 | | self.hover_point = -1 |
|
| if event.button() == Qt.LeftButton and not self.dragged: | | |
| point = self.findPoint(event.pos()) | | |
| if point >= 0: | | |
| self.setPointColor( | | |
| point, event.modifiers() == Qt.ControlModifier) | | |
| | |
| if self.init_pos and self.zoom_pos: | | if self.init_pos and self.zoom_pos: |
| if self.init_pos.x() != self.zoom_pos.x(): | | if self.init_pos.x() != self.zoom_pos.x(): |
| # zoom in | | # zoom in |
|
| self.vmin = self.xToData( | | self.vmin, self.vmax = sorted([ |
| (self.init_pos.x() - self.left_margin) / | | self.xToData(self.convertX(self.init_pos.x())), |
| float(self.rect().width() - self.left_margin)) | | self.xToData(self.convertX(self.zoom_pos.x()))]) |
| self.vmax = self.xToData( | | |
| (self.zoom_pos.x() - self.left_margin) / | | |
| float(self.rect().width() - self.left_margin)) | | |
| | |
| self.zoom_pos = None | | self.zoom_pos = None |
| self.repaint() | | self.repaint() |
| self.updateVolumeColors() | | self.updateVolumeColors() |
| | |
| def changePointColor(self, color): | | def changePointColor(self, color): |
| """ | | """ |
| Changes color of specified point or three points. | | Changes color of specified point or three points. |
| """ | | """ |
| x, y, _, _, _ = self.points[self.color_point] | | x, y, _, _, _ = self.points[self.color_point] |
| | | |
| End of changes. 11 change blocks. |
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| 23 lines changed or deleted | | 22 lines changed or added |
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