from __future__ import absolute_import, division, print_function from PyQt4 import QtGui from PyQt4.QtCore import Qt import gltbx.util from crys3d import qttbx import crys3d.qttbx.map_viewer_controls from gltbx import gl_managed from gltbx.gl import * from gltbx.glu import * from scitbx import iso_surface from cctbx import maptbx, uctbx def display(window_title="Map Viewer", **kwds): app = QtGui.QApplication([]) view = map_viewer(**kwds) view.setWindowTitle(window_title) view.resize(800, 800) ctrls = map_viewer_controls(view) ctrls.show() view.show() app.exec_() class map_viewer_controls(qttbx.widget_control_mixin, qttbx.map_viewer_controls.Ui_Form): positive_iso_level_fmt = "%.3g" def __init__(self, map_viewer): qttbx.widget_control_mixin.__init__(self, map_viewer, None, Qt.Tool) self.move(0,50) self.wiresBox.setChecked(self.view.wires) self.posIsoLevelSlider.setRange(0, 100) iso_level_validator = QtGui.QDoubleValidator(self) iso_level_validator.setRange(0, self.view.max_density, decimals=3) iso_level_validator.setNotation(QtGui.QDoubleValidator.ScientificNotation) self.posIsoLevel.setValidator(iso_level_validator) self.posIsoLevel.setText(self.positive_iso_level_fmt % self.view.positive_iso_level) self.wiresBox.stateChanged[int].connect(self.view.set_wires) self.posIsoLevelSlider.valueChanged[int].connect( self.posIsoLevelLCD.display) self.posIsoLevelSlider.setValue( int(self.view.positive_iso_level/self.view.max_density*100)) self.posIsoLevelSlider.sliderMoved[int].connect( self.on_positive_iso_level_slider_moved) self.posIsoLevelSlider.valueChanged[int].connect( self.posIsoLevelLCD.display) self.posIsoLevel.editingFinished.connect( self.on_iso_level_field_edited) def on_positive_iso_level_slider_moved(self, x): iso_level = self.view.max_density*x/100 self.view.set_positive_iso_level(iso_level) self.posIsoLevel.setText(self.positive_iso_level_fmt % iso_level) def on_iso_level_field_edited(self): iso_level = float(self.posIsoLevel.text()) self.view.set_positive_iso_level(iso_level) self.posIsoLevelSlider.setValue(iso_level/self.view.max_density*100) class map_viewer(qttbx.widget): def __init__(self, fft_map=None, unit_cell=None, raw_map=None, periodic=False, positive_iso_level=None, iso_level_positive_range_fraction=None, negative_iso_level=None, iso_level_negative_range_fraction=None, wires=True, **kwds): if fft_map is not None: unit_cell = fft_map.unit_cell() super(map_viewer, self).__init__(unit_cell=unit_cell, light_position=(-1, 1, 1, 0), **kwds) assert (fft_map is not None or (unit_cell is not None and raw_map is not None)) assert (positive_iso_level is not None or iso_level_positive_range_fraction is not None) assert (bool(negative_iso_level is not None) ^ bool(iso_level_negative_range_fraction is None)) if fft_map is not None: self.rho = fft_map.real_map() else: self.rho = raw_map density_stats = maptbx.statistics(self.rho) self.min_density = density_stats.min() self.max_density = density_stats.max() if positive_iso_level is not None: self.positive_iso_level = positive_iso_level else: self.positive_iso_level = ( iso_level_positive_range_fraction*self.max_density) if (negative_iso_level is None and iso_level_negative_range_fraction is not None): negative_iso_level = ( iso_level_negative_range_fraction*self.min_density) self.negative_iso_level = negative_iso_level self.periodic = periodic self.wires = wires self.compute_triangulation() def set_positive_iso_level(self, level): if self.positive_iso_level != level: self.positive_iso_level = level self.compute_triangulation() self.updateGL() return self def set_wires(self, flag): if self.wires != flag: self.wires = flag self.updateGL() return self def compute_triangulation(self): self.triangulation = iso_surface.triangulation( self.rho, self.positive_iso_level, map_extent=(1,1,1), from_here=self.from_here, to_there=self.to_there, periodic=self.periodic, ascending_normal_direction=False) def initialise_opengl(self): glEnableClientState(GL_VERTEX_ARRAY) glEnableClientState(GL_NORMAL_ARRAY) self.material = gl_managed.material_model( ambient_front_colour=(0, 0.25, 0, 1), ambient_back_colour=(0., 0.25, 0, 1), diffuse_front_colour=(0, 1, 0, 1), diffuse_back_colour=(0, 0.75, 0, 1), specular_front_colour=(0.5, 0, 0.5, 1), specular_focus=100) self.wire_colour = (0, 1, 0, 1) def draw_object_in_fractional_coordinates(self): self.draw_triangulation() def draw_triangulation(self): if self.wires: glPushAttrib(GL_LIGHTING_BIT) glDisable(GL_LIGHTING) glPolygonMode(GL_FRONT_AND_BACK, GL_LINE) glColor4fv(self.wire_colour) else: glPolygonMode(GL_FRONT_AND_BACK, GL_FILL) self.material.execute(specular=not self.wires) va = gltbx.util.vertex_array(self.triangulation.vertices, self.triangulation.normals) va.draw_triangles(self.triangulation.triangles) if self.wires: glPopAttrib() gltbx.util.handle_error() if __name__ == '__main__': from scitbx.iso_surface import tst_iso_surface uc = uctbx.unit_cell((1,1,1,60,120,90)) case = tst_iso_surface.triangulation_test_case( func=tst_iso_surface.elliptic(), grid_size=(5, 3, 2), periodic=False, lazy_normals=False, descending_normals=True) display(unit_cell=uc, raw_map=case.map, positive_iso_level=2.26, wires=True, is_unit_cell_shown=False, orthographic=True)