Fixed branch for Blender 3.6 release #104626
@ -7,7 +7,7 @@
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# Start of project : 2011-08-31 by CB
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# First publication in Blender : 2011-11-11 by CB
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# Fusion of the PDB, XYZ and Panel : 2019-03-22 by CB
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# Last modified : 2019-05-17
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# Last modified : 2023-05-19
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#
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# Contributing authors
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# ====================
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@ -1100,6 +1100,7 @@ def draw_sticks_normal(all_atoms,
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center,
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Stick_diameter,
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Stick_sectors,
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Stick_dist,
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use_sticks_smooth,
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use_sticks_one_object,
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use_sticks_one_object_nr,
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@ -1117,60 +1118,104 @@ def draw_sticks_normal(all_atoms,
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list_group = []
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list_group_sub = []
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counter = 0
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for stick in all_sticks:
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for i, stick in enumerate(all_sticks):
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# The vectors of the two atoms
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atom1 = all_atoms[stick.atom1-1].location-center
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atom2 = all_atoms[stick.atom2-1].location-center
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# Location
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location = (atom1 + atom2) * 0.5
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# The difference of both vectors
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v = (atom2 - atom1)
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# Angle with respect to the z-axis
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angle = v.angle(up_axis, 0)
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# Cross-product between v and the z-axis vector. It is the
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# vector of rotation.
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axis = up_axis.cross(v)
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# Calculate Euler angles
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euler = Matrix.Rotation(angle, 4, axis).to_euler()
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# Create stick
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stick = bpy.ops.mesh.primitive_cylinder_add(vertices=Stick_sectors,
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radius=Stick_diameter,
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depth=v.length,
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end_fill_type='NGON',
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align='WORLD',
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enter_editmode=False,
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location=location,
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rotation=(0, 0, 0))
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# Put the stick into the scene ...
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stick = bpy.context.view_layer.objects.active
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# ... and rotate the stick.
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stick.rotation_euler = euler
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# ... and name
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stick.name = "Stick_Cylinder"
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counter += 1
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# We treat here single, double and tripple bonds: stick.number <= 3
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for repeat in range(stick.number):
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# Smooth the cylinder.
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if use_sticks_smooth == True:
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bpy.ops.object.select_all(action='DESELECT')
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stick.select_set(True)
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bpy.ops.object.shade_smooth()
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# The vectors of the two atoms
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atom1 = copy(all_atoms[stick.atom1-1].location)-center
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atom2 = copy(all_atoms[stick.atom2-1].location)-center
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list_group_sub.append(stick)
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dist = Stick_diameter * Stick_dist
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if use_sticks_one_object == True:
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if counter == use_sticks_one_object_nr:
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# The two sticks are on the left and right of the middle connection.
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if stick.number == 2:
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if repeat == 0:
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atom1 += (stick.dist * dist)
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atom2 += (stick.dist * dist)
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if repeat == 1:
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atom1 -= (stick.dist * dist)
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atom2 -= (stick.dist * dist)
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if stick.number == 3:
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if repeat == 0:
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atom1 += (stick.dist * dist)
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atom2 += (stick.dist * dist)
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if repeat == 2:
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atom1 -= (stick.dist * dist)
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atom2 -= (stick.dist * dist)
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# Vector pointing along the stick direction
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dv = atom1 - atom2
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# The normalized vector of this, with lenght 1
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n = dv / dv.length
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# Starting point of the stick
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location = (atom1 + atom2) * 0.5
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# Angle with respect to the z-axis
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angle = dv.angle(up_axis, 0)
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# Cross-product between v and the z-axis vector. It is the
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# vector of rotation.
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axis = up_axis.cross(dv)
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# Calculate Euler angles
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euler = Matrix.Rotation(angle, 4, axis).to_euler()
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# Create stick
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stick_obj = bpy.ops.mesh.primitive_cylinder_add(vertices=Stick_sectors,
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radius=Stick_diameter,
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depth=dv.length,
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end_fill_type='NGON',
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align='WORLD',
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enter_editmode=False,
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location=location,
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rotation=(0, 0, 0))
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# Put the stick into the scene ...
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stick_obj = bpy.context.view_layer.objects.active
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# ... and rotate the stick.
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stick_obj.rotation_euler = euler
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# ... and name
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if stick.number == 1:
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stick_obj.name = "Stick_Cylinder_%04d" %(i)
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elif stick.number == 2:
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if repeat == 0:
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stick_obj.name = "Stick_Cylinder_%04d" %(i) + "_left"
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elif repeat == 1:
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stick_obj.name = "Stick_Cylinder_%04d" %(i) + "_right"
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elif stick.number == 3:
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if repeat == 0:
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stick_obj.name = "Stick_Cylinder_%04d" %(i) + "_left"
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elif repeat == 1:
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stick_obj.name = "Stick_Cylinder_%04d" %(i) + "_middle"
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elif repeat == 2:
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stick_obj.name = "Stick_Cylinder_%04d" %(i) + "_right"
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# Never occurs:
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else:
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stick_obj.name = "Stick_Cylinder"
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# Never occurs:
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else:
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stick_obj.name = "Stick_Cylinder"
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counter += 1
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# Smooth the cylinder.
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if use_sticks_smooth == True:
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bpy.ops.object.select_all(action='DESELECT')
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for stick in list_group_sub:
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stick.select_set(True)
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bpy.ops.object.join()
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list_group.append(bpy.context.view_layer.objects.active)
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bpy.ops.object.select_all(action='DESELECT')
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list_group_sub = []
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counter = 0
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else:
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# Material ...
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stick.active_material = stick_material
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stick_obj.select_set(True)
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bpy.ops.object.shade_smooth()
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list_group_sub.append(stick_obj)
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if use_sticks_one_object == True:
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if counter == use_sticks_one_object_nr:
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bpy.ops.object.select_all(action='DESELECT')
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for stick_select in list_group_sub:
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stick_select.select_set(True)
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bpy.ops.object.join()
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list_group.append(bpy.context.view_layer.objects.active)
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bpy.ops.object.select_all(action='DESELECT')
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list_group_sub = []
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counter = 0
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else:
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# Material ...
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stick_obj.active_material = stick_material
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if use_sticks_one_object == True:
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bpy.ops.object.select_all(action='DESELECT')
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@ -1184,7 +1229,7 @@ def draw_sticks_normal(all_atoms,
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group.select_set(True)
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bpy.ops.object.join()
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bpy.ops.object.origin_set(type='ORIGIN_GEOMETRY',
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center='MEDIAN')
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center='MEDIAN')
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sticks = bpy.context.view_layer.objects.active
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sticks.active_material = stick_material
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@ -1531,6 +1576,7 @@ def import_pdb(Ball_type,
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object_center_vec,
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Stick_diameter,
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Stick_sectors,
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Stick_dist,
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use_sticks_smooth,
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use_sticks_one_object,
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use_sticks_one_object_nr,
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|
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Block a user