def center_on_atom(self, atom_pos):
""" Only change the center of viewpoint of the camera.
It does not change (yet) the position of the camera.
atom_pos is a vector containing the XYZ coordinates
of the selected atom.
"""
if op.get_euclidean(self.target_point, atom_pos) != 0:
cam_pos = self.get_cam_pos()
glMatrixMode(GL_MODELVIEW)
modelview = glGetDoublev(GL_MODELVIEW_MATRIX)
up = modelview[:3, 1]
zrp = self.zrp
dist = op.get_euclidean(zrp, atom_pos)
vec_dir = op.unit_vector([atom_pos[0]-zrp[0], atom_pos[1]-zrp[1], atom_pos[2]-zrp[2]])
add_z = (self.z_far - self.z_near)/2
dist_z = op.get_euclidean(cam_pos, zrp)
if dist_z < add_z:
add_z = dist_z - 0.1
cycles = 15
to_add = float(dist/cycles)
for i in range(1, cycles):
aum = i*to_add
pto = [zrp[0]+vec_dir[0]*aum, zrp[1]+vec_dir[1]*aum, zrp[2]+vec_dir[2]*aum]
self.z_far = dist_z + add_z
self.z_near = dist_z - add_z
self.fog_start = self.z_far - 1.5
self.fog_end = self.z_far
dist_z = op.get_euclidean(cam_pos, pto)
#x, y, width, height = self.get_allocation()
glMatrixMode(GL_PROJECTION)
glLoadIdentity()
gluPerspective(self.fovy, float(self.width)/float(self.height), self.z_near, self.z_far)
glFogf(GL_FOG_START, self.fog_start)
glFogf(GL_FOG_END, self.fog_end)
glMatrixMode(GL_MODELVIEW)
glLoadIdentity()
gluLookAt(cam_pos[0], cam_pos[1], cam_pos[2],
pto[0], pto[1], pto[2],
up[0], up[1], up[2])
self.updateGL()
if dist%0.1 > 0:
dist_z = op.get_euclidean(cam_pos, atom_pos)
self.z_far = dist_z + add_z
self.z_near = dist_z - add_z
self.fog_start = self.z_far - 1.5
self.fog_end = self.z_far
#x, y, width, height = self.get_allocation()
glMatrixMode(GL_PROJECTION)
glLoadIdentity()
gluPerspective(self.fovy, float(self.width)/float(self.height), self.z_near, self.z_far)
glFogf(GL_FOG_START, self.fog_start)
glFogf(GL_FOG_END, self.fog_end)
glMatrixMode(GL_MODELVIEW)
glLoadIdentity()
gluLookAt(cam_pos[0], cam_pos[1], cam_pos[2], atom_pos[0], atom_pos[1], atom_pos[2], up[0], up[1], up[2])
self.updateGL()
def mouse_pressed(self, widget, event):
""" The mouse_button function serves, as the names states, to catch
mouse buttons events when pressed.
"""
left = self.get_left_button_down(event)
middle = self.get_middle_button_down(event)
right = self.get_right_button_down(event)
self.mouse_rotate = left and not (middle or right)
self.mouse_zoom = right and not (middle or left)
self.mouse_pan = middle and not (right or left)
x = self.mouse_x = event.x
y = self.mouse_y = event.y
self.drag_pos_x, self.drag_pos_y, self.drag_pos_z = self.pos(x, y)
if event.button == 1 and event.type == gtk.gdk._2BUTTON_PRESS:
nearest, hits = self.pick(x,
self.get_allocation().height - 1 - y,
self.pick_radius[0], self.pick_radius[1],
event)
selected = self.select(event, nearest, hits)
if selected is not None:
self.center_on_atom(selected.pos)
self.zero_reference_point = selected.pos
self.target_point = selected.pos
if event.button == 2 and event.type == gtk.gdk.BUTTON_PRESS:
self.dist_cam_zpr = op.get_euclidean(self.zero_reference_point,
self.get_cam_pos())
if event.button == 1 and event.type == gtk.gdk.BUTTON_PRESS:
self.pos_mouse = [x, y]
def mousePressEvent(self, event):
"""
"""
self.mouse_x = event.x()
self.mouse_y = event.y()
if (event.button() == QtCore.Qt.LeftButton):
#print("Left click")
self.mouse_rotate = True
self.pos_mouse[0] = float(event.x())
self.pos_mouse[1] = float(event.y())
if (event.button() == QtCore.Qt.RightButton):
#print("Right click")
self.mouse_zoom = True
if (event.button() == QtCore.Qt.MidButton):
#print("Mid click")
self.dist_cam_zpr = op.get_euclidean(self.zrp, self.get_cam_pos())
self.drag_pos_x, self.drag_pos_y, self.drag_pos_z = self.pos(event.x(), event.y())
self.mouse_pan = True
def edit_draw(self, mouse_x, mouse_y):
""" Function doc """
proj = np.matrix(self.proj_mat)
view = np.matrix(self.view_mat)
model = np.matrix(self.model_mat)
i_proj = proj.I
i_view = view.I
i_model = model.I
i_mvp = i_proj * i_view * i_model
mod = self.get_viewport_pos(mouse_x, mouse_y)
mod.append(1)
mod = np.matrix(mod)
mod = (mod * i_mvp).A1
mod /= mod[3]
u_vec = op.unit_vector(mod[:3] - self.cam_pos)
v_vec = op.unit_vector(-self.cam_pos)
angle = np.radians(op.get_angle(v_vec, u_vec))
hypo = op.get_euclidean(self.cam_pos, [0, 0, 0]) / np.cos(angle)
test = u_vec * hypo
mod = self.cam_pos + test
self.add_points(mod[:3])
self.parent_widget.queue_draw()
def edit_draw(self, mouse_x, mouse_y):
""" Function doc """
proj = np.matrix(self.proj_mat)
view = np.matrix(self.view_mat)
model = np.matrix(self.model_mat)
i_proj = proj.I
i_view = view.I
i_model = model.I
i_mvp = i_proj * i_view * i_model
mod = self.get_viewport_pos(mouse_x, mouse_y)
mod.append(1)
mod = np.matrix(mod)
mod = (mod*i_mvp).A1
mod /= mod[3]
u_vec = op.unit_vector(mod[:3] - self.cam_pos)
v_vec = op.unit_vector(-self.cam_pos)
angle = np.radians(op.get_angle(v_vec, u_vec))
hypo = op.get_euclidean(self.cam_pos, [0,0,0]) / np.cos(angle)
test = u_vec * hypo
mod = self.cam_pos + test
self.add_points(mod[:3])
self.parent_widget.queue_draw()
def pressed_c(self, pdb_resids=20):
""" Test Cartoon
"""
import numpy as np, operations as op
cart = [(1,'N'), (2,'H'), (3,'H'), (4,'H'), (5,'H'),
(6,'H'), (7,'H'), (8,'H'), (9,'N'), (10,'N'),
(11,'N'), (12,'N'), (13,'N'), (14,'N'), (15,'N'),
(16,'N'), (17,'N'), (18,'N'), (19,'N'), (20,'N')]
frame = self.data[0]
i = 0
cartoons = []
while i < len(frame.ribbons):
if cart[i][1] == 'N':
temp = (0, frame.ribbons[i])
cartoons.append(temp)
i += 1
elif cart[i][1] == 'H':
atom1 = frame.ribbons[i][0]
while cart[i][1] == 'H':
i += 1
atom2 = frame.ribbons[i][0]
arr1 = np.array([0, 0, 1])
arr2 = op.unit_vector(atom2.pos - atom1.pos)
angle = op.get_angle(arr1, arr2)
vec_o = np.cross(arr1, arr2)
length = op.get_euclidean(atom1.pos, atom2.pos)
temp = (1,(atom1, length, angle, vec_o))
cartoons.append(temp)
self.gl_crt_li = glGenLists(1)
glNewList(self.gl_crt_li, GL_COMPILE)
for car in cartoons:
if car[0] == 0:
rep.draw_ribbon(car[1][0], car[1][1], car[1][2], car[1][3])
elif car[0] == 1:
rep.draw_helix(car[1][2], car[1][3], car[1][1], car[1][0])
glEndList()
self.CARTOON = True
return True