digichem-core 7.0.0__py3-none-any.whl → 7.0.2__py3-none-any.whl

digichem/__init__.py

@@ -20,7 +20,7 @@ from digichem.datas import get_resource
 # development = prerelease is not None
 # # The full version number of this package.
 # __version__ = "{}.{}.{}{}".format(major_version, minor_version, revision, "-pre.{}".format(prerelease) if development else "")
-__version__ = "7.0.0"
+__version__ = "7.0.2"
 _v_parts = __version__.split("-")[0].split(".")
 major_version = int(_v_parts[0])
 minor_version = int(_v_parts[1])
@@ -39,7 +39,7 @@ __author__ = [
 ]
 
 # Program date (when we were last updated). This is changed automatically.
-_last_updated_string = "30/09/2025"
+_last_updated_string = "31/10/2025"
 last_updated = datetime.strptime(_last_updated_string, "%d/%m/%Y")
 
 # The sys attribute 'frozen' is our flag, '_MEIPASS' is the dir location.

digichem/config/base.py

@@ -59,7 +59,7 @@ class Digichem_options(Configurable):
     render = Options(
         help = "Options for controlling the appearance of 3D molecule images.",
         enable_rendering = Option(help = "Set to False to disable image rendering.", type = bool, default = True),
-        engine = Option(help = "The rendering engine to use", choices = ["vmd", "batoms"], default = "vmd"),
+        engine = Option(help = "The rendering engine to use", choices = ["vmd", "batoms"], default = "batoms"),
         vmd = Options(help = "VMD specific options (only applies if engine == 'vmd'",
             executable = Option(help = "Path to the VMD (Visual Molecular Dynamics) executable", default = "vmd"),
             tachyon = Option(help = "The tachyon ray-tracing library, performs the actual rendering. Tachyon is typically packaged with VMD, but often isn't added to the path automatically", default = "tachyon"),
@@ -323,7 +323,7 @@ To disable the maximum width, set to null.""", type = int, default = 1500),
         path = Path(path)
         
         try:
-            path.parent.mkdir(exist_ok = True)
+            path.parent.mkdir(exist_ok = True, parents = True)
             atomic_write(path, data)
         
         except FileNotFoundError as e:

{digichem_core-7.0.0.dist-info → digichem_core-7.0.2.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: digichem-core
-Version: 7.0.0
+Version: 7.0.2
 Summary: Open-source library for Digichem core components
 Project-URL: Homepage, https://github.com/Digichem-Project/digichem-core
 Project-URL: Documentation, https://doc.digi-chem.co.uk

{digichem_core-7.0.0.dist-info → digichem_core-7.0.2.dist-info}/RECORD

@@ -1,4 +1,4 @@
-digichem/__init__.py,sha256=xXiF18dE2K2qQCknOTMhJtbqi2ZYNp6nGJtkWydiXvQ,2287
+digichem/__init__.py,sha256=SVoZjE9zoQZ1GnikOkaF2rspWejAKgJ-5z67I9HNdgQ,2287
 digichem/basis.py,sha256=khzIS9A_w8QH2vsXctWr16Bw5TA84_9_Fo-vuveP_5w,4875
 digichem/datas.py,sha256=t2PuQFvPb55WO_qVF3Xz67XNodQDimqYD26VkRPEWLA,433
 digichem/log.py,sha256=tjl8Er16HUsAibBZGZMu8KyT0w53YM3u0Neh_l2jD9Q,6166
@@ -6,7 +6,7 @@ digichem/memory.py,sha256=_HJMwiElr0534lr3h17WwvXOi-DxCN-bAD1Ij8Lwg6U,5638
 digichem/translate.py,sha256=YKm7wko13A17zQJW8qOT52rzp9wDmR0GDzOepuzr75I,21326
 digichem/config/README,sha256=0y5sxYPAmpD3XNzgJrr-U8xmiQbheC8bz8lvnNmsNtc,180
 digichem/config/__init__.py,sha256=wXnmk1fuNZeHOKz06wBfTUkM8-XuW08F2H8QiHyS8Xs,227
-digichem/config/base.py,sha256=H1hHx8zh3J7PvfOpk9FAwDN_mvxPDNH_bb_1lbsmpuE,26017
+digichem/config/base.py,sha256=_ViUdljCObLGPzsqEFwqCKzbHRly3nPzALvRcJXW_U8,26036
 digichem/config/locations.py,sha256=Jlvql0KJrJEIO_2U6BRS5bjHelKjGGIETR9hOuNe0K0,584
 digichem/config/parse.py,sha256=amJx89JXkkEyMMSYr5GvLFnLZO3hWahuZtNlx0F0PhA,2667
 digichem/config/util.py,sha256=E-5He3AbrwHNHFbBdfNMOimaDPXqtAi96l-4Acmn08o,4611
@@ -109,8 +109,8 @@ digichem/test/test_translate.py,sha256=_3FkYottqHZGxMSTJkbcE8dQXhQlrNlVS0FjMopIw
 digichem/test/util.py,sha256=p7KgyR9VGPstD7y8FH0onIxgY4YCvSCmbtJ-kJggxeA,8798
 digichem/test/mock/cubegen,sha256=h2HvmW8YbmYDqycnfCJYstZ2yO1uUxErbCWFKgzXaJ8,6781858
 digichem/test/mock/formchk,sha256=KZWhyJtaMXAGX1Xlx7Ikw9gbncOqLrpYkynz9IMYUlY,756867
-digichem_core-7.0.0.dist-info/METADATA,sha256=CKOBSJV3CfF8Q99vu_5hHpK928UdUo32CS5kARa7bZE,4098
-digichem_core-7.0.0.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
-digichem_core-7.0.0.dist-info/licenses/COPYING.md,sha256=d-yG6IJrlqLkuiuoOFe331YKzMRS05pnmk4e98gu9pQ,900
-digichem_core-7.0.0.dist-info/licenses/LICENSE,sha256=ZLlePQN2WLgdvmIGLEjjHtgIoneUGR2MgE9yjMg1JiY,1457
-digichem_core-7.0.0.dist-info/RECORD,,
+digichem_core-7.0.2.dist-info/METADATA,sha256=urpQDDxH9tA2cTDlrIOjl2BsNB_sLRGyDsr3jE1aQXU,4098
+digichem_core-7.0.2.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
+digichem_core-7.0.2.dist-info/licenses/COPYING.md,sha256=d-yG6IJrlqLkuiuoOFe331YKzMRS05pnmk4e98gu9pQ,900
+digichem_core-7.0.2.dist-info/licenses/LICENSE,sha256=ZLlePQN2WLgdvmIGLEjjHtgIoneUGR2MgE9yjMg1JiY,1457
+digichem_core-7.0.2.dist-info/RECORD,,