from __future__ import absolute_import, division, print_function from libtbx import adopt_optional_init_args import gltbx import gltbx.util from gltbx.gl import * from gltbx.glu import * from PyQt4.QtOpenGL import * from PyQt4.QtCore import * from PyQt4.QtGui import * from scitbx import matrix as mat import math from six.moves import zip class widget_with_fp_exception_trapping_off_mixin(object): def show(self): from boost_adaptbx.boost.python import ext try: division_by_zero = ext.is_division_by_zero_trapped() invalid = ext.is_invalid_trapped() overflow = ext.is_overflow_trapped() ext.trap_exceptions(division_by_zero=False, invalid=False, overflow=False) super(widget_with_fp_exception_trapping_off_mixin, self).show() finally: ext.trap_exceptions(division_by_zero=division_by_zero, invalid=invalid, overflow=overflow) class widget(widget_with_fp_exception_trapping_off_mixin, QGLWidget): from_here = (0,0,0) to_there = (1,1,1) clear_colour = (0.9, 0.92, 0.94, 1) fovy = 30 orthographic = False zoom = 1. mouse_rotation_scale = 0.6 mouse_wheel_scale = 0.002 mouse_translation_scale = 0.01 unit_cell_axis_label_font = QFont("Helvetica", pointSize=16) is_unit_cell_shown = True is_bounding_box_shown = False def __init__(self, unit_cell, light_position, **kwds): super(widget, self).__init__(QGLFormat(QGL.SampleBuffers),) adopt_optional_init_args(self, kwds) self.unit_cell = unit_cell self.light_position = light_position self.set_extent(self.from_here, self.to_there) self.orthogonaliser = gltbx.util.matrix( unit_cell.orthogonalization_matrix()) self.orbiting = None self.dolly = None self.mouse_position = None def set_extent(self, from_here, to_there): self.from_here = mat.col(from_here) self.to_there = mat.col(to_there) self.object_centre_wrt_frac = (self.from_here + self.to_there)/2 self.object_centre_wrt_cart = mat.col( self.unit_cell.orthogonalize(self.object_centre_wrt_frac)) dx, dy, dz = self.unit_cell.orthogonalize(self.to_there - self.from_here) diameter_sq = max( u**2 + v**2 + w**2 for u,v,w in ((dx, dy, dz), (dx, dy, -dz), (dx, -dy, dz), (-dx, dy, dz))) self.object_radius = math.sqrt(diameter_sq)/2 def show_unit_cell(self, flag): self.is_unit_cell_shown = flag self.updateGL() def eye_distance(self): return self.object_radius / math.tan(self.fovy/2*math.pi/180) eye_distance = property(eye_distance) def initializeGL(self): glEnable(GL_MULTISAMPLE) # does not seem needed with Qt 4.7 # on MacOS 10.6.1 glEnable(GL_DEPTH_TEST) glEnable(GL_NORMALIZE) glClearColor(*self.clear_colour) glMatrixMode(GL_MODELVIEW) glPushMatrix() glLoadIdentity() self.orbiting = gltbx.util.matrix().get() self.dolly = gltbx.util.matrix().get() glPopMatrix() glEnable(GL_LIGHTING) glEnable(GL_LIGHT0) glLightModelfv(GL_LIGHT_MODEL_AMBIENT, (0.7,)*3 + (1,)) glLightModeli(GL_LIGHT_MODEL_TWO_SIDE, GL_TRUE) glPushMatrix() glLoadIdentity() glLightfv(GL_LIGHT0, GL_POSITION, self.light_position) glPopMatrix() gltbx.util.handle_error() self.initialise_opengl() def resizeGL(self, w=None, h=None): if w is None: w = self.width() if h is None: h = self.height() w = max(w, 1) h = max(h, 1) aspect = w/h glViewport(0, 0, w, h) glMatrixMode(GL_PROJECTION) glLoadIdentity() zoomed_radius = self.object_radius / self.zoom far = self.eye_distance + zoomed_radius near = self.eye_distance - zoomed_radius if self.orthographic: left = bottom = -zoomed_radius right = top = zoomed_radius if aspect < 1: bottom /= aspect top /= aspect else: left *= aspect right *= aspect glOrtho(left, right, bottom, top, near, far) else: gluPerspective(aspect=w/h, fovy=self.fovy/self.zoom, zNear=near, zFar=far) def paintGL(self): glClear(GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT) glMatrixMode(GL_MODELVIEW) glLoadIdentity() glTranslatef(0, 0, -self.eye_distance) self.dolly.multiply() self.orbiting.multiply() glPushMatrix() glTranslatef(*-self.object_centre_wrt_cart) self.draw_object_in_cartesian_coordinates() glPopMatrix() glPushMatrix() self.orthogonaliser.multiply() glTranslatef(*-self.object_centre_wrt_frac) if self.is_unit_cell_shown: self.draw_unit_cell() if self.is_bounding_box_shown: self.draw_bounding_box() self.draw_object_in_fractional_coordinates() glPopMatrix() def draw_object_in_cartesian_coordinates(self): pass def draw_object_in_fractional_coordinates(self): pass def draw_unit_cell(self): glPushAttrib(GL_LIGHTING_BIT) glDisable(GL_LIGHTING) glColor3f(0.5, 0.5, 0.5) e = -0.02 for pos, label in zip([(1/2, e, e), (e, 1/2, e), (e, e, 1/2)], ['a','b','c']): self.renderText(pos[0], pos[1], pos[2], label, self.unit_cell_axis_label_font) glPushAttrib(GL_LINE_BIT) glLineWidth(3) glBegin(GL_LINE_LOOP) glVertex3f(0,0,0) glVertex3f(1,0,0) glVertex3f(1,1,0) glVertex3f(0,1,0) glEnd() glBegin(GL_LINE_LOOP) glVertex3f(0,0,1) glVertex3f(1,0,1) glVertex3f(1,1,1) glVertex3f(0,1,1) glEnd() glBegin(GL_LINES) glVertex3f(0,0,0) glVertex3f(0,0,1) glVertex3f(1,0,0) glVertex3f(1,0,1) glVertex3f(1,1,0) glVertex3f(1,1,1) glVertex3f(0,1,0) glVertex3f(0,1,1) glEnd() glPopAttrib() # line glPopAttrib() # light def draw_bounding_box(self): glPushAttrib(GL_LIGHTING_BIT) glDisable(GL_LIGHTING) glColor3f(0.8, 0.5, 0.1) glPushAttrib(GL_LINE_BIT) glLineWidth(3) x0, y0, z0 = self.from_here x1, y1, z1 = self.to_there glBegin(GL_LINE_LOOP) glVertex3f(x0,y0,z0) glVertex3f(x1,y0,z0) glVertex3f(x1,y1,z0) glVertex3f(x0,y1,z0) glEnd() glBegin(GL_LINE_LOOP) glVertex3f(x0,y0,z1) glVertex3f(x1,y0,z1) glVertex3f(x1,y1,z1) glVertex3f(x0,y1,z1) glEnd() glBegin(GL_LINES) glVertex3f(x0,y0,z0) glVertex3f(x0,y0,z1) glVertex3f(x1,y0,z0) glVertex3f(x1,y0,z1) glVertex3f(x1,y1,z0) glVertex3f(x1,y1,z1) glVertex3f(x0,y1,z0) glVertex3f(x0,y1,z1) glEnd() glPopAttrib() # line glPopAttrib() # light show_inspector = pyqtSignal() def keyPressEvent(self, event): if event.key() == Qt.Key_F5: QApplication.instance().quit() elif event.key() == Qt.Key_I and event.modifiers() & Qt.ControlModifier: self.show_inspector.emit() def mousePressEvent(self, event): if event.button() == Qt.LeftButton: self.mouse_position = event.pos() def mouseReleaseEvent(self, event): if event.button() == Qt.LeftButton: self.mouse_position = None def mouseMoveEvent(self, event): if self.mouse_position is None: return p, p0 = event.pos(), self.mouse_position self.mouse_position = p delta_x, delta_y = p.x() - p0.x(), p.y() - p0.y() if event.modifiers() == Qt.NoModifier: if not self.orbiting: return s = self.mouse_rotation_scale glMatrixMode(GL_MODELVIEW) glPushMatrix() glLoadIdentity() glRotatef(s*delta_x, 0, 1, 0) glRotatef(s*delta_y, 1, 0, 0) self.orbiting.multiply() self.orbiting.get() glPopMatrix() elif event.modifiers() == Qt.AltModifier: if not self.dolly: return s = self.mouse_translation_scale glMatrixMode(GL_MODELVIEW) glPushMatrix() glLoadIdentity() glTranslatef(s*delta_x, -s*delta_y, 0) self.dolly.multiply() self.dolly.get() glPopMatrix() self.updateGL() def wheelEvent(self, event): if not self.dolly: return s = event.delta()*self.mouse_wheel_scale # s > 0 when wheel rotated forward away from the user # then we increase zoom, i.e. zoom in # i.e. we chose to make the wheel control the camera: # forward means get closer, or zoom in # unlike the rotation of the structure where we manipulate the object # instead, but like scrolling where we move the viewing point and not # the text self.zoom += s self.resizeGL() self.updateGL() def set_perspective(self, flag): if self.orthographic != (not flag): self.orthographic = not flag self.resizeGL(self.width(), self.height()) self.updateGL() return self class widget_control_mixin(widget_with_fp_exception_trapping_off_mixin, QWidget): def __init__(self, view, *args, **kwds): QWidget.__init__(self, *args, **kwds) self.view = view self.setupUi(self) try: self.perspectiveBox.setChecked(not self.view.orthographic) self.perspectiveBox.stateChanged[int].connect(self.view.set_perspective) except AttributeError: pass try: self.unitCellBox.setChecked(self.view.is_unit_cell_shown) self.unitCellBox.stateChanged[int].connect(self.view.show_unit_cell) except AttributeError: pass self.view.show_inspector.connect(self.show)