def draw_axis(self, axis, label):
if self.minimum_covering_sphere is None:
self.update_minimum_covering_sphere()
s = self.minimum_covering_sphere
scale = max(max(s.box_max()), abs(min(s.box_min())))
gltbx.fonts.ucs_bitmap_8x13.setup_call_lists()
gl.glDisable(gl.GL_LIGHTING)
if self.settings.black_background:
gl.glColor3f(1.0, 1.0, 1.0)
else:
gl.glColor3f(0.0, 0.0, 0.0)
gl.glLineWidth(1.0)
gl.glBegin(gl.GL_LINES)
gl.glVertex3f(0.0, 0.0, 0.0)
gl.glVertex3f(axis[0] * scale, axis[1] * scale, axis[2] * scale)
gl.glEnd()
gl.glRasterPos3f(0.5 + axis[0] * scale, 0.2 + axis[1] * scale,
0.2 + axis[2] * scale)
gltbx.fonts.ucs_bitmap_8x13.render_string(label)
gl.glEnable(gl.GL_LINE_STIPPLE)
gl.glLineStipple(4, 0xAAAA)
gl.glBegin(gl.GL_LINES)
gl.glVertex3f(0.0, 0.0, 0.0)
gl.glVertex3f(-axis[0] * scale, -axis[1] * scale, -axis[2] * scale)
gl.glEnd()
gl.glDisable(gl.GL_LINE_STIPPLE)
def draw_spheres(self, solid=False):
gl.glMatrixMode(gl.GL_MODELVIEW)
gray = 0.3
gl.glColor3f(gray, gray, gray)
if solid:
gl.glEnable(gl.GL_LIGHTING)
gl.glEnable(gl.GL_LIGHT0)
gl.glLightfv(gl.GL_LIGHT0, gl.GL_AMBIENT, [1, 1, 1, 1])
gl.glLightfv(gl.GL_LIGHT0, gl.GL_POSITION, [0, 0, 1, 0])
gl.glEnable(gl.GL_BLEND)
gl.glBlendFunc(gl.GL_SRC_ALPHA, gl.GL_ONE_MINUS_SRC_ALPHA)
gl.glMaterialfv(gl.GL_FRONT, gl.GL_DIFFUSE, [1, 1, 1, 0.5])
sphere = gltbx.util.SolidSphere
grid = 50
else:
sphere = gltbx.util.WireSphere
grid = 20
for i, (x, r) in enumerate(self.spheres):
gl.glPushMatrix()
gl.glTranslated(*(x))
sphere(radius=r, slices=grid, stacks=grid)
gl.glPopMatrix()
if solid:
gl.glDisable(gl.GL_LIGHTING)
gl.glDisable(gl.GL_LIGHT0)
gl.glDisable(gl.GL_BLEND)
def draw_cross_at(self, position_tuple, color=(1, 1, 1), f=0.1):
(x, y, z) = position_tuple
gl.glBegin(gl.GL_LINES)
gl.glColor3f(*color)
gl.glVertex3f(x - f, y, z)
gl.glVertex3f(x + f, y, z)
gl.glVertex3f(x, y - f, z)
gl.glVertex3f(x, y + f, z)
gl.glVertex3f(x, y, z - f)
gl.glVertex3f(x, y, z + f)
gl.glEnd()
def draw_lab_axis(self, start, end, label):
mid = tuple([0.5 * (s + e) for s, e in zip(start, end)])
gltbx.fonts.ucs_bitmap_8x13.setup_call_lists()
gl.glDisable(gl.GL_LIGHTING)
gl.glColor3f(1.0, 1.0, 0.0)
gl.glLineWidth(1.0)
gl.glBegin(gl.GL_LINES)
gl.glVertex3f(*start)
gl.glVertex3f(*end)
gl.glEnd()
gl.glRasterPos3f(*mid)
gltbx.fonts.ucs_bitmap_8x13.render_string(label)
def draw_labels(self, color=(1, 1, 1)):
if self.labels_display_list is None:
font = gltbx.fonts.ucs_bitmap_8x13
font.setup_call_lists()
self.labels_display_list = gltbx.gl_managed.display_list()
self.labels_display_list.compile()
gl.glColor3f(*color)
for label, point in zip(self.labels, self.points):
gl.glRasterPos3f(*point)
font.render_string(label)
self.labels_display_list.end()
self.labels_display_list.call()
def draw_cell(self, axes, color):
astar, bstar, cstar = axes[0], axes[1], axes[2]
gltbx.fonts.ucs_bitmap_8x13.setup_call_lists()
gl.glDisable(gl.GL_LIGHTING)
gl.glColor3f(*color)
gl.glLineWidth(2.0)
gl.glBegin(gl.GL_LINES)
gl.glVertex3f(0.0, 0.0, 0.0)
gl.glVertex3f(*astar.elems)
gl.glVertex3f(0.0, 0.0, 0.0)
gl.glVertex3f(*bstar.elems)
gl.glVertex3f(0.0, 0.0, 0.0)
gl.glVertex3f(*cstar.elems)
gl.glEnd()
gl.glRasterPos3f(*(1.01 * astar).elems)
gltbx.fonts.ucs_bitmap_8x13.render_string("a*")
gl.glRasterPos3f(*(1.01 * bstar).elems)
gltbx.fonts.ucs_bitmap_8x13.render_string("b*")
gl.glRasterPos3f(*(1.01 * cstar).elems)
gltbx.fonts.ucs_bitmap_8x13.render_string("c*")
gl.glEnable(gl.GL_LINE_STIPPLE)
gl.glLineStipple(4, 0xAAAA)
farpoint = astar + bstar + cstar
# a* face
gl.glBegin(gl.GL_LINE_LOOP)
gl.glVertex3f(*farpoint.elems)
gl.glVertex3f(*(farpoint - bstar).elems)
gl.glVertex3f(*(farpoint - bstar - cstar).elems)
gl.glVertex3f(*(farpoint - cstar).elems)
gl.glEnd()
# b* face
gl.glBegin(gl.GL_LINE_LOOP)
gl.glVertex3f(*farpoint.elems)
gl.glVertex3f(*(farpoint - astar).elems)
gl.glVertex3f(*(farpoint - astar - cstar).elems)
gl.glVertex3f(*(farpoint - cstar).elems)
gl.glEnd()
# c* face
gl.glBegin(gl.GL_LINE_LOOP)
gl.glVertex3f(*farpoint.elems)
gl.glVertex3f(*(farpoint - bstar).elems)
gl.glVertex3f(*(farpoint - bstar - astar).elems)
gl.glVertex3f(*(farpoint - astar).elems)
gl.glEnd()
gl.glDisable(gl.GL_LINE_STIPPLE)
def draw_lines(self):
if self.lines_display_list is None:
self.lines_display_list = gltbx.gl_managed.display_list()
self.lines_display_list.compile()
assert self.line_width > 0
for i_seqs in self.line_i_seqs:
color = self.line_colors.get(tuple(i_seqs))
if color is None:
color = self.line_colors.get(tuple(reversed(i_seqs)))
if color is None:
color = (1, 0, 1)
gl.glColor3f(*color)
gl.glLineWidth(self.line_width)
gl.glBegin(gl.GL_LINES)
gl.glVertex3f(*self.points[i_seqs[0]])
gl.glVertex3f(*self.points[i_seqs[1]])
gl.glEnd()
self.lines_display_list.end()
self.lines_display_list.call()
def draw_minimum_covering_sphere(self):
if self.minimum_covering_sphere_display_list is None:
self.minimum_covering_sphere_display_list = gltbx.gl_managed.display_list()
self.minimum_covering_sphere_display_list.compile()
s = self.minimum_covering_sphere
c = s.center()
r = s.radius()
gray = 0.3
gl.glColor3f(gray, gray, gray)
gl.glBegin(gl.GL_POLYGON)
for i in range(360):
a = i * math.pi / 180
rs = r * math.sin(a)
rc = r * math.cos(a)
gl.glVertex3f(c[0], c[1] + rs, c[2] + rc)
gl.glEnd()
self.draw_cross_at(c, color=(1, 0, 0))
self.minimum_covering_sphere_display_list.end()
self.minimum_covering_sphere_display_list.call()
def label_nearest_point(self):
ann = AnnAdaptorSelfInclude(self.points.as_double(), 3)
ann.query(self.rotation_center)
i = ann.nn[0]
gltbx.fonts.ucs_bitmap_8x13.setup_call_lists()
gl.glDisable(gl.GL_LIGHTING)
gl.glColor3f(1.0, 1.0, 1.0)
gl.glLineWidth(1.0)
xyz = self.points_data["xyz"][i]
exp_id = self.points_data["id"][i]
panel = self.points_data["panel"][i]
d_spacing = self.points_data["d_spacing"][i]
label = (f"id: {exp_id}; panel: {panel}\n"
f"xyz: {xyz[0]:.1f} {xyz[1]:.1f} {xyz[2]:.1f}\n"
f"res: {d_spacing:.2f} Angstrom")
if "miller_index" in self.points_data and exp_id != -1:
hkl = self.points_data["miller_index"][i]
label += f"\nhkl: {hkl}"
line_spacing = round(gltbx.fonts.ucs_bitmap_8x13.height())
for j, string in enumerate(label.splitlines()):
gl.glRasterPos3f(*self.points[i])
gl.glBitmap(0, 0, 0.0, 0.0, line_spacing, -j * line_spacing, b" ")
gltbx.fonts.ucs_bitmap_8x13.render_string(string)
