-
Clemens Barth authored
Comments ======== This is the fusion of the 3 atomic blender addons from Blender 2.79: 1. PDB (I/O addon for .pdb files, was in trunk before) 2. XYZ (I/O addon for .xyz files, was in contrib before) 3. Utilities (panel for modifying atomic structures, was in contrib before), into one single addon called ‘Atomic Blender PDB/XYZ’.Clemens Barth authoredComments ======== This is the fusion of the 3 atomic blender addons from Blender 2.79: 1. PDB (I/O addon for .pdb files, was in trunk before) 2. XYZ (I/O addon for .xyz files, was in contrib before) 3. Utilities (panel for modifying atomic structures, was in contrib before), into one single addon called ‘Atomic Blender PDB/XYZ’.
xyz_export.py 2.67 KiB
# ##### BEGIN GPL LICENSE BLOCK #####
#
# This program is free software; you can redistribute it and/or
# modify it under the terms of the GNU General Public License
# as published by the Free Software Foundation; either version 2
# of the License, or (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program; if not, write to the Free Software Foundation,
# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
#
# ##### END GPL LICENSE BLOCK #####
import bpy
from io_mesh_atomic.xyz_import import ELEMENTS_DEFAULT
class AtomsExport(object):
__slots__ = ('element', 'location')
def __init__(self, element, location):
self.element = element
self.location = location
def export_xyz(obj_type, filepath_xyz):
list_atoms = []
counter = 0
for obj in bpy.context.selected_objects:
if "STICK" in obj.name.upper():
continue
if obj.type not in {'MESH', 'SURFACE', 'META'}:
continue
name = ""
for element in ELEMENTS_DEFAULT:
if element[1] in obj.name:
if element[2] == "Vac":
name = "X"
else:
name = element[2]
if name == "":
if obj_type == "0":
name = "?"
else:
continue
if len(obj.children) != 0:
for vertex in obj.data.vertices:
location = obj.matrix_world @ vertex.co
list_atoms.append(AtomsExport(name, location))
counter += 1
else:
if not obj.parent:
location = obj.location
list_atoms.append(AtomsExport(name, location))
counter += 1
xyz_file_p = open(filepath_xyz, "w")
xyz_file_p.write("%d\n" % counter)
xyz_file_p.write("This XYZ file has been created with Blender "
"and the addon Atomic Blender - XYZ. "
"For more details see the wiki pages of Blender.\n")
for i, atom in enumerate(list_atoms):
string = "%3s%15.5f%15.5f%15.5f\n" % (
atom.element,
atom.location[0],
atom.location[1],
atom.location[2])
xyz_file_p.write(string)
xyz_file_p.close()
return True