io_mesh_atomic/xyz_export.py

   1 # SPDX-License-Identifier: GPL-2.0-or-later
   2
   3 import bpy
   4 from io_mesh_atomic.xyz_import import ELEMENTS_DEFAULT
   5
   6
   7 class AtomsExport(object):
   8     __slots__ = ('element', 'location')
   9     def __init__(self, element, location):
  10         self.element  = element
  11         self.location = location
  12
  13
  14 def export_xyz(obj_type, filepath_xyz):
  15
  16     list_atoms = []
  17     counter = 0
  18     for obj in bpy.context.selected_objects:
  19
  20         if "STICK" in obj.name.upper():
  21             continue
  22
  23         if obj.type not in {'MESH', 'SURFACE', 'META'}:
  24             continue
  25
  26         name = ""
  27         for element in ELEMENTS_DEFAULT:
  28             if element[1] in obj.name:
  29                 if element[2] == "Vac":
  30                     name = "X"
  31                 else:
  32                     name = element[2]
  33
  34         if name == "":
  35             if obj_type == "0":
  36                 name = "?"
  37             else:
  38                 continue
  39
  40         if len(obj.children) != 0:
  41             for vertex in obj.data.vertices:
  42                 location = obj.matrix_world @ vertex.co
  43                 list_atoms.append(AtomsExport(name, location))
  44                 counter += 1
  45         else:
  46             if not obj.parent:
  47                 location = obj.location
  48                 list_atoms.append(AtomsExport(name, location))
  49                 counter += 1
  50
  51     xyz_file_p = open(filepath_xyz, "w")
  52     xyz_file_p.write("%d\n" % counter)
  53     xyz_file_p.write("This XYZ file has been created with Blender "
  54                      "and the addon Atomic Blender - XYZ. "
  55                      "For more details see the wiki pages of Blender.\n")
  56
  57     for i, atom in enumerate(list_atoms):
  58         string = "%3s%15.5f%15.5f%15.5f\n" % (
  59                                       atom.element,
  60                                       atom.location[0],
  61                                       atom.location[1],
  62                                       atom.location[2])
  63         xyz_file_p.write(string)
  64
  65     xyz_file_p.close()
  66
  67     return True