blender-v3.6-release #104624
@ -7,7 +7,7 @@
|
||||
# Start of project : 2011-08-31 by CB
|
||||
# First publication in Blender : 2011-11-11 by CB
|
||||
# Fusion of the PDB, XYZ and Panel : 2019-03-22 by CB
|
||||
# Last modified : 2019-05-17
|
||||
# Last modified : 2023-05-19
|
||||
#
|
||||
# Contributing authors
|
||||
# ====================
|
||||
|
@ -1100,6 +1100,7 @@ def draw_sticks_normal(all_atoms,
|
||||
center,
|
||||
Stick_diameter,
|
||||
Stick_sectors,
|
||||
Stick_dist,
|
||||
use_sticks_smooth,
|
||||
use_sticks_one_object,
|
||||
use_sticks_one_object_nr,
|
||||
@ -1117,52 +1118,96 @@ def draw_sticks_normal(all_atoms,
|
||||
list_group = []
|
||||
list_group_sub = []
|
||||
counter = 0
|
||||
for stick in all_sticks:
|
||||
for i, stick in enumerate(all_sticks):
|
||||
|
||||
# We treat here single, double and tripple bonds: stick.number <= 3
|
||||
for repeat in range(stick.number):
|
||||
|
||||
# The vectors of the two atoms
|
||||
atom1 = all_atoms[stick.atom1-1].location-center
|
||||
atom2 = all_atoms[stick.atom2-1].location-center
|
||||
# Location
|
||||
atom1 = copy(all_atoms[stick.atom1-1].location)-center
|
||||
atom2 = copy(all_atoms[stick.atom2-1].location)-center
|
||||
|
||||
dist = Stick_diameter * Stick_dist
|
||||
|
||||
# The two sticks are on the left and right of the middle connection.
|
||||
if stick.number == 2:
|
||||
if repeat == 0:
|
||||
atom1 += (stick.dist * dist)
|
||||
atom2 += (stick.dist * dist)
|
||||
if repeat == 1:
|
||||
atom1 -= (stick.dist * dist)
|
||||
atom2 -= (stick.dist * dist)
|
||||
|
||||
if stick.number == 3:
|
||||
if repeat == 0:
|
||||
atom1 += (stick.dist * dist)
|
||||
atom2 += (stick.dist * dist)
|
||||
if repeat == 2:
|
||||
atom1 -= (stick.dist * dist)
|
||||
atom2 -= (stick.dist * dist)
|
||||
|
||||
# Vector pointing along the stick direction
|
||||
dv = atom1 - atom2
|
||||
# The normalized vector of this, with lenght 1
|
||||
n = dv / dv.length
|
||||
# Starting point of the stick
|
||||
location = (atom1 + atom2) * 0.5
|
||||
# The difference of both vectors
|
||||
v = (atom2 - atom1)
|
||||
# Angle with respect to the z-axis
|
||||
angle = v.angle(up_axis, 0)
|
||||
angle = dv.angle(up_axis, 0)
|
||||
# Cross-product between v and the z-axis vector. It is the
|
||||
# vector of rotation.
|
||||
axis = up_axis.cross(v)
|
||||
axis = up_axis.cross(dv)
|
||||
# Calculate Euler angles
|
||||
euler = Matrix.Rotation(angle, 4, axis).to_euler()
|
||||
# Create stick
|
||||
stick = bpy.ops.mesh.primitive_cylinder_add(vertices=Stick_sectors,
|
||||
stick_obj = bpy.ops.mesh.primitive_cylinder_add(vertices=Stick_sectors,
|
||||
radius=Stick_diameter,
|
||||
depth=v.length,
|
||||
depth=dv.length,
|
||||
end_fill_type='NGON',
|
||||
align='WORLD',
|
||||
enter_editmode=False,
|
||||
location=location,
|
||||
rotation=(0, 0, 0))
|
||||
# Put the stick into the scene ...
|
||||
stick = bpy.context.view_layer.objects.active
|
||||
stick_obj = bpy.context.view_layer.objects.active
|
||||
# ... and rotate the stick.
|
||||
stick.rotation_euler = euler
|
||||
stick_obj.rotation_euler = euler
|
||||
# ... and name
|
||||
stick.name = "Stick_Cylinder"
|
||||
if stick.number == 1:
|
||||
stick_obj.name = "Stick_Cylinder_%04d" %(i)
|
||||
elif stick.number == 2:
|
||||
if repeat == 0:
|
||||
stick_obj.name = "Stick_Cylinder_%04d" %(i) + "_left"
|
||||
elif repeat == 1:
|
||||
stick_obj.name = "Stick_Cylinder_%04d" %(i) + "_right"
|
||||
elif stick.number == 3:
|
||||
if repeat == 0:
|
||||
stick_obj.name = "Stick_Cylinder_%04d" %(i) + "_left"
|
||||
elif repeat == 1:
|
||||
stick_obj.name = "Stick_Cylinder_%04d" %(i) + "_middle"
|
||||
elif repeat == 2:
|
||||
stick_obj.name = "Stick_Cylinder_%04d" %(i) + "_right"
|
||||
# Never occurs:
|
||||
else:
|
||||
stick_obj.name = "Stick_Cylinder"
|
||||
# Never occurs:
|
||||
else:
|
||||
stick_obj.name = "Stick_Cylinder"
|
||||
counter += 1
|
||||
|
||||
# Smooth the cylinder.
|
||||
if use_sticks_smooth == True:
|
||||
bpy.ops.object.select_all(action='DESELECT')
|
||||
stick.select_set(True)
|
||||
stick_obj.select_set(True)
|
||||
bpy.ops.object.shade_smooth()
|
||||
|
||||
list_group_sub.append(stick)
|
||||
list_group_sub.append(stick_obj)
|
||||
|
||||
if use_sticks_one_object == True:
|
||||
if counter == use_sticks_one_object_nr:
|
||||
bpy.ops.object.select_all(action='DESELECT')
|
||||
for stick in list_group_sub:
|
||||
stick.select_set(True)
|
||||
for stick_select in list_group_sub:
|
||||
stick_select.select_set(True)
|
||||
bpy.ops.object.join()
|
||||
list_group.append(bpy.context.view_layer.objects.active)
|
||||
bpy.ops.object.select_all(action='DESELECT')
|
||||
@ -1170,7 +1215,7 @@ def draw_sticks_normal(all_atoms,
|
||||
counter = 0
|
||||
else:
|
||||
# Material ...
|
||||
stick.active_material = stick_material
|
||||
stick_obj.active_material = stick_material
|
||||
|
||||
if use_sticks_one_object == True:
|
||||
bpy.ops.object.select_all(action='DESELECT')
|
||||
@ -1531,6 +1576,7 @@ def import_pdb(Ball_type,
|
||||
object_center_vec,
|
||||
Stick_diameter,
|
||||
Stick_sectors,
|
||||
Stick_dist,
|
||||
use_sticks_smooth,
|
||||
use_sticks_one_object,
|
||||
use_sticks_one_object_nr,
|
||||
|
Loading…
Reference in New Issue
Block a user