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createCNT_v2_3.py
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Brad Corso (bcorso)
Nov 13 2013, 4:32 PM
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createCNT_v2_3.py
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'''
Copyright (C) 2011-2012 Brad Corso
Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated
documentation files (the "Software"), to deal in the Software without restriction, including without limitation
the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and
to permit persons to whom the Software is furnished to do so, subject to the following conditions:
The above copyright notice and this permission notice shall be included in all copies or substantial portions of
the Software.
THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE
WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS
OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR
OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
'''
import bpy
bl_info = {
"name": "Create Graphene/CNT",
"author": "Brad Corso, bcorso1@gmail.com",
"version": (2, 3, 0),
"blender": (2, 6, 1),
"api": 41287,
"location": "View3D > Spacebar Key > Create CNT",
"description": "Creates Graphene and CNTs of any index (m,n).",
"warning": "",
"wiki_url": "",
"tracker_url": "",
"category": "3D View"}
def CNT(type = 1,res = 1, m=10,n=5,bL=1.56,bR=.1,aR=.2):
import bpy
from fractions import gcd
from math import cos, sin, acos,sqrt,copysign,ceil,floor,pi
from mathutils import Vector, Matrix,Quaternion
print("Tube: (",m,",",n,"); Radius: ",bL*sqrt(m*m+n*n+m*n)/(2*pi))
cntR = bL*sqrt(m*m+n*n+m*n)/(2*pi)
a1=Vector((bL*sqrt(3)/2,bL/2))
a2=Vector((bL*sqrt(3)/2,-bL/2))
x=Vector((bL/sqrt(3),0))
def Lattice2D(i,j,k):
return i*a1+j*a2+k*x
o = Lattice2D(0,0,0)
c = Lattice2D(m,n,0)
d = gcd(2*n+m,2*m+n)
t = Lattice2D((2*n+m)/d,-(2*m+n)/d,0);print("Unit Length: ",t.magnitude)
theta = acos(c.normalized()[0]*copysign(1,c[1]))
u = Matrix(((cos(theta),sin(theta)),(-sin(theta),cos(theta))))
def Lattice3D(i,j,k):
r = c.magnitude/(2*pi)
p = Lattice2D(i,j,k)*u.transposed()
return Vector([r*cos(p[0]/r),r*sin(p[0]/r),p[1]])
imax = 2*(n+m); imin = 0
jmax = n; jmin = -(2*m+n)
indices = []
for i in range(imin,imax+1):
for j in range(jmin,jmax+1):
for k in range(2):
p = Lattice2D(i,j,k)*u.transposed()
if p[0]>=0-bL/5 and p[0]<=c.magnitude-bL/5 and p[1]>=0+bL/10 and p[1]<=t.magnitude+bL/10:
indices.append([i,j,k])
print("indices: ",len(indices))
points2D = list(map(lambda x:Lattice2D(x[0],x[1],x[2])*u.transposed(),indices))
print("points2D: ",len(points2D))
bonds2D = []
for i in range(len(indices)):
if indices[i][2] == 0:
p1=Lattice2D(indices[i][0],indices[i][1],0)*u.transposed()
p2=Lattice2D(indices[i][0],indices[i][1],1)*u.transposed()
if p2[0]>=0-bL/5 and p2[0]<=c.magnitude+bL/5 and p2[1]>=0-bL/10 and p2[1]<=t.magnitude+bL:
bonds2D.append([p1,p2])
p2=Lattice2D(indices[i][0]-1,indices[i][1],1)*u.transposed()
if p2[0]>=0-bL/5 and p2[0]<=c.magnitude+bL/5 and p2[1]>=0-bL/10 and p2[1]<=t.magnitude+bL:
bonds2D.append([p1,p2])
p2=Lattice2D(indices[i][0],indices[i][1]-1,1)*u.transposed()
if p2[0]>=0-bL/5 and p2[0]<=c.magnitude+bL/5 and p2[1]>=0-bL/10 and p2[1]<=t.magnitude+bL:
bonds2D.append([p1,p2])
print("bonds2D: ",len(bonds2D))
if type == 0:
lyrs = [False]*20; lyrs[3] = True
if bpy.data.scenes[0].layers[3] == False:
bpy.data.scenes[0].layers[3] = True
bpy.ops.object.select_by_layer(extend=False, layers=4)
bpy.ops.object.delete()
if res < 0:
res = 1
if bR > 0:
for i in range(len(bonds2D)):
temp3D1 = Vector([bonds2D[i][0][0],bonds2D[i][0][1],0])
temp3D2 = Vector([bonds2D[i][1][0],bonds2D[i][1][1],0])
p = (temp3D1+temp3D2)*.5
v = ((temp3D2-temp3D1).normalized()+Vector((0,0,1)))/2
qu = Quaternion((v[0],v[1],v[2]),pi)
eu = qu.to_euler()
bpy.ops.mesh.primitive_cylinder_add(vertices=res*4,depth=(temp3D2-temp3D1).magnitude*1.05,radius=bR, end_fill_type='NOTHING', location=(p[0], p[1], p[2]), rotation=eu,layers=lyrs)
if res > 1:
bpy.ops.object.shade_smooth()
print("C bonds rendered")
if aR > 0:
for i in range(len(points2D)):
bpy.ops.mesh.primitive_uv_sphere_add(segments=res*4,ring_count=res*2,size=aR,location=(points2D[i][0],points2D[i][1],0),layers=lyrs)
if res > 1:
bpy.ops.object.shade_smooth()
print("C atoms rendered")
bpy.ops.mesh.primitive_uv_sphere_add(size=0,layers=lyrs)
bpy.ops.object.select_by_layer(extend=False, layers=4)
bpy.ops.object.join()
bpy.ops.object.modifier_add(type='ARRAY')
bpy.context.active_object.modifiers['Array'].count=1
bpy.context.active_object.modifiers['Array'].use_relative_offset=False
bpy.context.active_object.modifiers['Array'].use_constant_offset=True
bpy.context.active_object.modifiers['Array'].constant_offset_displace.y=t.magnitude
#bpy.ops.curve.primitive_bezier_circle_add(rotation=(0, pi/2, 0), layers=lyrs)
#need to select cnt now.
#bpy.ops.object.modifier_add(type='CURVE')
else:
points3D = list(map(lambda x:Lattice3D(x[0],x[1],x[2]),indices))
print("points3D: ",len(points3D))
bonds3D = []
for i in range(len(indices)):
if indices[i][2] == 0:
p13D=Lattice3D(indices[i][0],indices[i][1],0)
p23D=Lattice3D(indices[i][0],indices[i][1],1)
p2=Lattice2D(indices[i][0],indices[i][1],1)*u.transposed()
if p2[0]>=0-bL and p2[0]<=c.magnitude+bL and p2[1]>=0-bL and p2[1]<=t.magnitude+bL:
bonds3D.append([p13D,p23D])
p23D=Lattice3D(indices[i][0]-1,indices[i][1],1)
p2=Lattice2D(indices[i][0]-1,indices[i][1],1)*u.transposed()
if p2[0]>=0-bL and p2[0]<=c.magnitude+bL and p2[1]>=0-bL and p2[1]<=t.magnitude+bL:
bonds3D.append([p13D,p23D])
p23D=Lattice3D(indices[i][0],indices[i][1]-1,1)
p2=Lattice2D(indices[i][0],indices[i][1]-1,1)*u.transposed()
if p2[0]>=0-bL and p2[0]<=c.magnitude+bL and p2[1]>=0-bL and p2[1]<=t.magnitude+bL:
bonds3D.append([p13D,p23D])
print("bonds3D: ",len(bonds3D))
lyrs = [False]*20; lyrs[1] = True
if bpy.data.scenes[0].layers[1] == False:
bpy.data.scenes[0].layers[1] = True
bpy.ops.object.select_by_layer(extend=False, layers=2)
bpy.ops.object.delete()
if res < 0:
res = 1
if bR > 0:
for i in range(len(bonds3D)):
p = (bonds3D[i][0]+bonds3D[i][1])*.5
v = ((bonds3D[i][1]-bonds3D[i][0]).normalized()+Vector((0,0,1)))/2
qu = Quaternion((v[0],v[1],v[2]),pi)
eu = qu.to_euler()
bpy.ops.mesh.primitive_cylinder_add(vertices=res*4,depth=(bonds3D[i][1]-bonds3D[i][0]).magnitude*1.05,radius=bR, end_fill_type='NOTHING', location=(p[0], p[1], p[2]), rotation=eu,layers=lyrs)
if res > 1:
bpy.ops.object.shade_smooth()
print("C bonds rendered")
bpy.ops.mesh.primitive_uv_sphere_add(size=0,layers=lyrs)
bpy.ops.object.select_by_layer(extend=False, layers=2)
bpy.ops.object.join()
bpy.ops.object.modifier_add(type='ARRAY')
bpy.context.active_object.modifiers['Array'].count=1
bpy.context.active_object.modifiers['Array'].use_relative_offset=False
bpy.context.active_object.modifiers['Array'].use_constant_offset=True
bpy.context.active_object.modifiers['Array'].constant_offset_displace.z=t.magnitude
bpy.ops.transform.rotate(value=(1.5708,), axis=(0, 1, 0))
lyrs = [False]*20; lyrs[2] = True
if bpy.data.scenes[0].layers[2] == False:
bpy.data.scenes[0].layers[2] = True
bpy.ops.object.select_by_layer(extend=False, layers=3)
bpy.ops.object.delete()
if aR > 0:
for i in range(len(points3D)):
bpy.ops.mesh.primitive_uv_sphere_add(segments=res*4,ring_count=res*2,size=aR,location=(points3D[i][0],points3D[i][1],points3D[i][2]),layers=lyrs)
if res > 1:
bpy.ops.object.shade_smooth()
print("C atoms rendered")
bpy.ops.mesh.primitive_uv_sphere_add(size=0,layers=lyrs)
bpy.ops.object.select_by_layer(extend=False, layers=3)
bpy.ops.object.join()
bpy.ops.object.modifier_add(type='ARRAY')
bpy.context.active_object.modifiers['Array'].count=1
bpy.context.active_object.modifiers['Array'].use_relative_offset=False
bpy.context.active_object.modifiers['Array'].use_constant_offset=True
bpy.context.active_object.modifiers['Array'].constant_offset_displace.z=t.magnitude
bpy.ops.transform.rotate(value=(1.5708,), axis=(0, 1, 0))
class CNTDialog(bpy.types.Operator):
bl_idname = "object.dialog_operator"
bl_label = "Create CNT"
gtype = bpy.props.BoolProperty(name="Type:CNT(1)/Graphene(0):",default = True)
res = bpy.props.IntProperty(name="Resolution",default = 1)
index_m = bpy.props.IntProperty(name="m", default=5)
index_n = bpy.props.IntProperty(name="n", default=5)
bL = bpy.props.FloatProperty(name="C-C Bond Length", default=.312)
bR = bpy.props.FloatProperty(name="C-C Bond Radius", default=.01)
aR = bpy.props.FloatProperty(name="C Atom Radius", default=.04)
def execute(self, context):
CNT(type=self.gtype, res=self.res, m=self.index_m,n=self.index_n,bL=self.bL,bR=self.bR,aR=self.aR)
print(self.index_m)
return {'FINISHED'}
def invoke(self, context, event):
wm = context.window_manager
return wm.invoke_props_dialog(self)
# registering and menu integration
def register():
bpy.utils.register_class(CNTDialog)
# unregistering and removing menus
def unregister():
bpy.utils.unregister_class(CNTDialog)
if __name__ == "__main__":
register()
# test call
#bpy.ops.object.dialog_operator('INVOKE_DEFAULT')

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