io_mesh_atomic/xyz_export.py

   1 # SPDX-FileCopyrightText: 2019-2022 Blender Foundation
   2 #
   3 # SPDX-License-Identifier: GPL-2.0-or-later
   4
   5 import bpy
   6 from io_mesh_atomic.xyz_import import ELEMENTS_DEFAULT
   7
   8
   9 class AtomsExport(object):
  10     __slots__ = ('element', 'location')
  11     def __init__(self, element, location):
  12         self.element  = element
  13         self.location = location
  14
  15
  16 def export_xyz(obj_type, filepath_xyz):
  17
  18     list_atoms = []
  19     counter = 0
  20     for obj in bpy.context.selected_objects:
  21
  22         if "STICK" in obj.name.upper():
  23             continue
  24
  25         if obj.type not in {'MESH', 'SURFACE', 'META'}:
  26             continue
  27
  28         name = ""
  29         for element in ELEMENTS_DEFAULT:
  30             if element[1] in obj.name:
  31                 if element[2] == "Vac":
  32                     name = "X"
  33                 else:
  34                     name = element[2]
  35
  36         if name == "":
  37             if obj_type == "0":
  38                 name = "?"
  39             else:
  40                 continue
  41
  42         if len(obj.children) != 0:
  43             for vertex in obj.data.vertices:
  44                 location = obj.matrix_world @ vertex.co
  45                 list_atoms.append(AtomsExport(name, location))
  46                 counter += 1
  47         else:
  48             if not obj.parent:
  49                 location = obj.location
  50                 list_atoms.append(AtomsExport(name, location))
  51                 counter += 1
  52
  53     xyz_file_p = open(filepath_xyz, "w")
  54     xyz_file_p.write("%d\n" % counter)
  55     xyz_file_p.write("This XYZ file has been created with Blender "
  56                      "and the addon Atomic Blender - XYZ. "
  57                      "For more details see the wiki pages of Blender.\n")
  58
  59     for i, atom in enumerate(list_atoms):
  60         string = "%3s%15.5f%15.5f%15.5f\n" % (
  61                                       atom.element,
  62                                       atom.location[0],
  63                                       atom.location[1],
  64                                       atom.location[2])
  65         xyz_file_p.write(string)
  66
  67     xyz_file_p.close()
  68
  69     return True