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cube.parent = atom.parent
cube.hide_set(True)
electron.hide_set(True)
lamp.hide_set(True)
# F0 center
if atom_shape == '3':
cube.name = atom.name + "_F2+_vac"
# New material for this cube
material_new = bpy.data.materials.new(atom.name + "_F2+_vac")
material_new.use_nodes = True
mat_P_BSDF = material_new.node_tree.nodes['Principled BSDF']
mat_P_BSDF.inputs['Base Color'].default_value = [0.8, 0.0, 0.0, 1.0]
mat_P_BSDF.inputs['Metallic'].default_value = 0.7
mat_P_BSDF.inputs['Specular'].default_value = 0.0
mat_P_BSDF.inputs['Roughness'].default_value = 0.65
mat_P_BSDF.inputs['Clearcoat Roughness'].default_value = 0.0
mat_P_BSDF.inputs['IOR'].default_value = 1.45
mat_P_BSDF.inputs['Transmission'].default_value = 0.6
mat_P_BSDF.inputs['Transmission Roughness'].default_value = 0.5
mat_P_BSDF.inputs['Alpha'].default_value = 0.6
# Some additional stuff for eevee.
material_new.blend_method = 'HASHED'
material_new.shadow_method = 'HASHED'
material_new.use_backface_culling = False
cube.active_material = material_new
# Create now two electrons ... .
scale = atom.scale / 10.0
bpy.ops.surface.primitive_nurbs_surface_sphere_add(
enter_editmode=False,
location=(scale[0]*1.5,0.0,0.0),
rotation=(0.0, 0.0, 0.0))
electron1 = bpy.context.view_layer.objects.active
electron1.scale = scale
electron1.name = atom.name + "_F0_electron_1"
electron1.parent = cube
bpy.ops.surface.primitive_nurbs_surface_sphere_add(
enter_editmode=False,
location=(-scale[0]*1.5,0.0,0.0),
rotation=(0.0, 0.0, 0.0))
electron2 = bpy.context.view_layer.objects.active
electron2.scale = scale
electron2.name = atom.name + "_F0_electron_2"
electron2.parent = cube
# Create a new material for the two electrons.
material_electron = bpy.data.materials.new(atom.name + "_F0-center")
material_electron.use_nodes = True
mat_P_BSDF = material_electron.node_tree.nodes['Principled BSDF']
mat_P_BSDF.inputs['Base Color'].default_value = [0.0, 0.0, 0.8, 1.0]
mat_P_BSDF.inputs['Metallic'].default_value = 0.8
mat_P_BSDF.inputs['Specular'].default_value = 0.0
mat_P_BSDF.inputs['Roughness'].default_value = 0.3
mat_P_BSDF.inputs['Clearcoat Roughness'].default_value = 0.0
mat_P_BSDF.inputs['IOR'].default_value = 1.45
mat_P_BSDF.inputs['Transmission'].default_value = 0.6
mat_P_BSDF.inputs['Transmission Roughness'].default_value = 0.5
mat_P_BSDF.inputs['Alpha'].default_value = 1.0
# Some additional stuff for eevee.
material_electron.blend_method = 'OPAQUE'
material_electron.shadow_method = 'OPAQUE'
material_electron.use_backface_culling = False
# We assign the materials to the two electrons.
electron1.active_material = material_electron
electron2.active_material = material_electron
# Put two point lamps inside the electrons.
lamp1_data = bpy.data.lights.new(name=atom.name + "_F0_lamp_1", type="POINT")
lamp1_data.distance = atom.scale[0] * 2.0
lamp1_data.energy = 20000.0
lamp1_data.color = (0.8, 0.0, 0.0)
lamp1 = bpy.data.objects.new(atom.name + "_F0_lamp", lamp1_data)
lamp1.location = Vector((scale[0]*1.5, 0.0, 0.0))
bpy.context.collection.objects.link(lamp1)
lamp1.parent = cube
lamp2_data = bpy.data.lights.new(name=atom.name + "_F0_lamp_2", type="POINT")
lamp2_data.distance = atom.scale[0] * 2.0
lamp2_data.energy = 20000.0
lamp2_data.color = (0.8, 0.0, 0.0)
lamp2 = bpy.data.objects.new(atom.name + "_F0_lamp", lamp2_data)
lamp2.location = Vector((-scale[0]*1.5, 0.0, 0.0))
bpy.context.collection.objects.link(lamp2)
lamp2.parent = cube
# The new 'atom' is the F0 defect complex + lamps
new_atom = cube
# Note the collection where all the new objects were placed into.
# We use only one object, the cube
coll_ori = get_collection_object(cube)
Clemens Barth
committed
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# If it is not the same collection then ...
if coll_ori != coll_new:
# Put all new objects into the collection of 'atom' and ...
coll_new.objects.link(cube)
coll_new.objects.link(electron1)
coll_new.objects.link(electron2)
coll_new.objects.link(lamp1)
coll_new.objects.link(lamp2)
# ... unlink them from their original collection.
coll_ori.objects.unlink(cube)
coll_ori.objects.unlink(electron1)
coll_ori.objects.unlink(electron2)
coll_ori.objects.unlink(lamp1)
coll_ori.objects.unlink(lamp2)
coll_new.name = atom.name + "_F0_center"
if atom.parent != None:
cube.parent = atom.parent
cube.hide_set(True)
electron1.hide_set(True)
electron2.hide_set(True)
lamp1.hide_set(True)
lamp2.hide_set(True)
Clemens Barth
committed
# Deselect everything
bpy.ops.object.select_all(action='DESELECT')
# Make the old atom visible.
atom.hide_set(True)
# Select the old atom.
atom.select_set(True)
# Remove the parent if necessary.
atom.parent = None
# Unlink the old object from the collection.
coll_atom.objects.unlink(atom)
# Delete the old atom
bpy.ops.object.delete()
Clemens Barth
committed
return new_atom
# Initialization of the list 'ELEMENTS'.
def read_elements():
del ELEMENTS[:]
for item in ELEMENTS_DEFAULT:
# All three radii into a list
radii = [item[4],item[5],item[6]]
# The handling of the ionic radii will be done later. So far, it is an
# empty list.
radii_ionic = item[7:]
li = ElementProp(item[0], item[1], item[2], item[3], radii, radii_ionic, [], [])
ELEMENTS.append(li)
# Custom data file: changing color and radii by using the list 'ELEMENTS'.
def custom_datafile_change_atom_props():
for atom in bpy.context.selected_objects:
FLAG = False
if len(atom.children) != 0:
child = atom.children[0]
if child.type in {'SURFACE', 'MESH', 'META'}:
for element in ELEMENTS:
if element.name in atom.name:
obj = child
e = element
FLAG = True
else:
if atom.type in {'SURFACE', 'MESH', 'META'}:
for element in ELEMENTS:
if element.name in atom.name:
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obj = atom
e = element
FLAG = True
if FLAG:
obj.scale = (e.radii[0],) * 3
mat = obj.active_material
mat_P_BSDF = mat.node_tree.nodes['Principled BSDF']
mat_P_BSDF.inputs['Base Color'].default_value = e.color
mat_P_BSDF.subsurface_method = e.mat_P_BSDF.Subsurface_method
mat_P_BSDF.distribution = e.mat_P_BSDF.Distribution
mat_P_BSDF.inputs['Subsurface'].default_value = e.mat_P_BSDF.Subsurface
mat_P_BSDF.inputs['Subsurface Color'].default_value = e.mat_P_BSDF.Subsurface_color
mat_P_BSDF.inputs['Subsurface Radius'].default_value = e.mat_P_BSDF.Subsurface_radius
mat_P_BSDF.inputs['Metallic'].default_value = e.mat_P_BSDF.Metallic
mat_P_BSDF.inputs['Specular'].default_value = e.mat_P_BSDF.Specular
mat_P_BSDF.inputs['Specular Tint'].default_value = e.mat_P_BSDF.Specular_tilt
mat_P_BSDF.inputs['Roughness'].default_value = e.mat_P_BSDF.Roughness
mat_P_BSDF.inputs['Anisotropic'].default_value = e.mat_P_BSDF.Anisotropic
mat_P_BSDF.inputs['Anisotropic Rotation'].default_value = e.mat_P_BSDF.Anisotropic_rotation
mat_P_BSDF.inputs['Sheen'].default_value = e.mat_P_BSDF.Sheen
mat_P_BSDF.inputs['Sheen Tint'].default_value = e.mat_P_BSDF.Sheen_tint
mat_P_BSDF.inputs['Clearcoat'].default_value = e.mat_P_BSDF.Clearcoat
mat_P_BSDF.inputs['Clearcoat Roughness'].default_value = e.mat_P_BSDF.Clearcoat_rough
mat_P_BSDF.inputs['IOR'].default_value = e.mat_P_BSDF.IOR
mat_P_BSDF.inputs['Transmission'].default_value = e.mat_P_BSDF.Trans
mat_P_BSDF.inputs['Transmission Roughness'].default_value = e.mat_P_BSDF.Trans_rough
mat_P_BSDF.inputs['Emission'].default_value = e.mat_P_BSDF.Emission
mat_P_BSDF.inputs['Emission Strength'].default_value = e.mat_P_BSDF.Emission_strength
mat_P_BSDF.inputs['Alpha'].default_value = e.mat_P_BSDF.Alpha
mat.use_backface_culling = e.mat_Eevee.use_backface
mat.blend_method = e.mat_Eevee.blend_method
mat.shadow_method = e.mat_Eevee.shadow_method
mat.alpha_threshold = e.mat_Eevee.clip_threshold
mat.use_screen_refraction = e.mat_Eevee.use_screen_refraction
mat.refraction_depth = e.mat_Eevee.refraction_depth
mat.use_sss_translucency = e.mat_Eevee.use_sss_translucency
mat.pass_index = e.mat_Eevee.pass_index
FLAG = False
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# Reading a custom data file and modifying the list 'ELEMENTS'.
def custom_datafile(path_datafile):
if path_datafile == "":
return False
path_datafile = bpy.path.abspath(path_datafile)
if os.path.isfile(path_datafile) == False:
return False
# The whole list gets deleted! We build it new.
del ELEMENTS[:]
# Read the data file, which contains all data
# (atom name, radii, colors, etc.)
data_file_p = open(path_datafile, "r")
for line in data_file_p:
if "#" == line[0]:
continue
if "Atom" in line:
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list_radii_ionic = []
while True:
if len(line) in [0,1]:
break
# Number
if "Number :" in line:
pos = line.rfind(':') + 1
number = line[pos:].strip()
# Name
if "Name :" in line:
pos = line.rfind(':') + 1
name = line[pos:].strip()
# Short name
if "Short name :" in line:
pos = line.rfind(':') + 1
short_name = line[pos:].strip()
# Color
if "Color :" in line:
pos = line.rfind(':') + 1
color_value = line[pos:].strip().split(',')
color = [float(color_value[0]),
float(color_value[1]),
float(color_value[2]),
float(color_value[3])]
# Used radius
if "Radius used :" in line:
pos = line.rfind(':') + 1
radius_used = float(line[pos:].strip())
# Covalent radius
if "Radius, covalent :" in line:
pos = line.rfind(':') + 1
radius_covalent = float(line[pos:].strip())
# Atomic radius
if "Radius, atomic :" in line:
pos = line.rfind(':') + 1
radius_atomic = float(line[pos:].strip())
if "Charge state :" in line:
pos = line.rfind(':') + 1
charge_state = float(line[pos:].strip())
line = data_file_p.readline()
pos = line.rfind(':') + 1
radius_ionic = float(line[pos:].strip())
list_radii_ionic.append(charge_state)
list_radii_ionic.append(radius_ionic)
# Some Principled BSDF properties
if "P BSDF Subsurface method :" in line:
pos = line.rfind(':') + 1
P_BSDF_subsurface_method = line[pos:].strip()
if "P BSDF Distribution :" in line:
pos = line.rfind(':') + 1
P_BSDF_distribution = line[pos:].strip()
if "P BSDF Subsurface :" in line:
pos = line.rfind(':') + 1
P_BSDF_subsurface = float(line[pos:].strip())
if "P BSDF Subsurface Color :" in line:
pos = line.rfind(':') + 1
color_value = line[pos:].strip().split(',')
P_BSDF_subsurface_color = [float(color_value[0]),
float(color_value[1]),
float(color_value[2]),
float(color_value[3])]
if "P BSDF Subsurface Radius :" in line:
pos = line.rfind(':') + 1
radii_values = line[pos:].strip().split(',')
P_BSDF_subsurface_radius = [float(color_value[0]),
float(color_value[1]),
float(color_value[2])]
if "P BSDF Metallic :" in line:
pos = line.rfind(':') + 1
P_BSDF_metallic = float(line[pos:].strip())
if "P BSDF Specular :" in line:
pos = line.rfind(':') + 1
P_BSDF_specular = float(line[pos:].strip())
if "P BSDF Specular Tilt :" in line:
pos = line.rfind(':') + 1
P_BSDF_specular_tilt = float(line[pos:].strip())
if "P BSDF Roughness :" in line:
pos = line.rfind(':') + 1
P_BSDF_roughness = float(line[pos:].strip())
if "P BSDF Anisotropic :" in line:
pos = line.rfind(':') + 1
P_BSDF_anisotropic = float(line[pos:].strip())
if "P BSDF Anisotropic Rotation :" in line:
pos = line.rfind(':') + 1
P_BSDF_anisotropic_rotation = float(line[pos:].strip())
if "P BSDF Sheen : " in line:
pos = line.rfind(':') + 1
P_BSDF_sheen = float(line[pos:].strip())
if "P BSDF Sheen Tint : " in line:
pos = line.rfind(':') + 1
P_BSDF_sheen_tint = float(line[pos:].strip())
if "P BSDF Clearcoat :" in line:
pos = line.rfind(':') + 1
P_BSDF_clearcoat = float(line[pos:].strip())
if "P BSDF Clearcoat Rough :" in line:
pos = line.rfind(':') + 1
P_BSDF_clearcoat_roughness = float(line[pos:].strip())
if "P BSDF IOR :" in line:
pos = line.rfind(':') + 1
P_BSDF_IOR = float(line[pos:].strip())
if "P BSDF Trans :" in line:
pos = line.rfind(':') + 1
P_BSDF_transparency = float(line[pos:].strip())
if "P BSDF Trans Roughness :" in line:
pos = line.rfind(':') + 1
P_BSDF_transparency_roughness = float(line[pos:].strip())
if "P BSDF Emisssion : " in line:
pos = line.rfind(':') + 1
color_value = line[pos:].strip().split(',')
P_BSDF_emission = [float(color_value[0]),
float(color_value[1]),
float(color_value[2]),
float(color_value[3])]
if "P BSDF Emission Strength :" in line:
pos = line.rfind(':') + 1
P_BSDF_emission_strength = float(line[pos:].strip())
if "P BSDF Alpha :" in line:
pos = line.rfind(':') + 1
P_BSDF_alpha = float(line[pos:].strip())
if "Eevee Use Backface Culling :" in line:
pos = line.rfind(':') + 1
line = line[pos:].strip()
if line.lower() in ("yes", "true", "1"):
Eevee_use_backface = True
else:
Eevee_use_backface = False
if "Eevee Blend Method :" in line:
pos = line.rfind(':') + 1
Eevee_blend_method = line[pos:].strip()
if "Eevee Shadow Method :" in line:
pos = line.rfind(':') + 1
Eevee_shadow_method = line[pos:].strip()
if "Eevee Clip Threshold :" in line:
pos = line.rfind(':') + 1
Eevee_clip_threshold = float(line[pos:].strip())
if "Eevee Use Screen Refraction :" in line:
pos = line.rfind(':') + 1
line = line[pos:].strip()
if line.lower() in ("yes", "true", "1"):
Eevee_use_screen_refraction = True
else:
Eevee_use_screen_refraction = False
if "Eevee Refraction depth : " in line:
pos = line.rfind(':') + 1
Eevee_refraction_depth = float(line[pos:].strip())
if "Eevee Use SSS Translucency :" in line:
pos = line.rfind(':') + 1
line = line[pos:].strip()
if line.lower() in ("yes", "true", "1"):
Eevee_use_sss_translucency = True
else:
Eevee_use_sss_translucency = False
if "Eevee Pass Index :" in line:
pos = line.rfind(':') + 1
Eevee_pass_index = int(line[pos:].strip())
line = data_file_p.readline()
list_radii = [radius_used, radius_covalent, radius_atomic]
Eevee_material = EeveeProp(Eevee_use_backface,
Eevee_blend_method,
Eevee_shadow_method,
Eevee_clip_threshold,
Eevee_use_screen_refraction,
Eevee_refraction_depth,
Eevee_use_sss_translucency,
Eevee_pass_index)
P_BSDF_material = PBSDFProp(P_BSDF_subsurface_method,
P_BSDF_distribution,
P_BSDF_subsurface,
P_BSDF_subsurface_color,
P_BSDF_subsurface_radius,
P_BSDF_metallic,
P_BSDF_specular,
P_BSDF_specular_tilt,
P_BSDF_roughness,
P_BSDF_anisotropic,
P_BSDF_anisotropic_rotation,
P_BSDF_sheen,
P_BSDF_sheen_tint,
P_BSDF_clearcoat,
P_BSDF_clearcoat_roughness,
P_BSDF_IOR,
P_BSDF_transparency,
P_BSDF_transparency_roughness,
P_BSDF_emission,
P_BSDF_emission_strength,
P_BSDF_alpha)
element = ElementProp(number,
name,
short_name,
color,
list_radii,
list_radii_ionic,
P_BSDF_material,
Eevee_material)
ELEMENTS.append(element)
data_file_p.close()
return True