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xyz_export.py 1.93 KiB
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  • # SPDX-License-Identifier: GPL-2.0-or-later
    
    
    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