psdi-data-conversion 0.2.3__py3-none-any.whl → 0.2.4__py3-none-any.whl

psdi_data_conversion/converters/openbabel.py

@@ -244,7 +244,7 @@ class OBFileConverter(FileConverter):
 
                     # Check that the option is valid
                     try:
-                        get_in_format_args(self.name, self.to_format_info, option)
+                        get_out_format_args(self.name, self.to_format_info, option)
                     except FileConverterDatabaseException:
                         print_wrap(f"WARNING: Output format option '{option}' not recognised for conversion with "
                                    f"{self.name}. If this is valid, the database should be updated to indicate "

psdi_data_conversion/database.py

@@ -383,47 +383,69 @@ class ConverterInfo:
             self._d_out_format_options = self._create_d_format_args(OptionInfo, "out")
         return self._d_out_format_options
 
-    def get_in_format_args(self, name: str) -> tuple[list[FlagInfo], list[OptionInfo]]:
+    def get_in_format_args(self, in_format: str | int | FormatInfo) -> tuple[list[FlagInfo], list[OptionInfo]]:
         """Get the input flags and options supported for a given format (provided as its extension)
 
         Parameters
         ----------
-        name : str
-            The file format name (extension)
+        in_format : str
+            The file format name (extension), ID, or FormatInfo
 
         Returns
         -------
         tuple[set[FlagInfo], set[OptionInfo]]
             A set of info for the allowed flags, and a set of info for the allowed options
         """
-        l_flag_ids = list(self.d_in_format_flags.get(name, set()))
+
+        l_in_format_infos = get_format_info(in_format, which="all")
+        s_flag_ids = set()
+        s_option_ids = set()
+
+        for in_format_info in l_in_format_infos:
+            in_format_id = in_format_info.id
+
+            s_flag_ids.update(self.d_in_format_flags.get(in_format_id, set()))
+            s_option_ids.update(self.d_in_format_options.get(in_format_id, set()))
+
+        l_flag_ids = list(s_flag_ids)
         l_flag_ids.sort()
         l_flag_info = [self.l_in_flag_info[x] for x in l_flag_ids]
 
-        l_option_ids = list(self.d_in_format_options.get(name, set()))
+        l_option_ids = list(s_option_ids)
         l_option_ids.sort()
         l_option_info = [self.l_in_option_info[x] for x in l_option_ids]
 
         return l_flag_info, l_option_info
 
-    def get_out_format_args(self, name: str) -> tuple[list[FlagInfo], list[OptionInfo]]:
+    def get_out_format_args(self, out_format: str | int | FormatInfo) -> tuple[list[FlagInfo], list[OptionInfo]]:
         """Get the output flags and options supported for a given format (provided as its extension)
 
         Parameters
         ----------
-        name : str
-            The file format name (extension)
+        out_format : str
+            The file format name (extension), ID, or FormatInfo
 
         Returns
         -------
         tuple[set[FlagInfo], set[OptionInfo]]
             A set of info for the allowed flags, and a set of info for the allowed options
         """
-        l_flag_ids = list(self.d_out_format_flags.get(name, set()))
+
+        l_out_format_infos = get_format_info(out_format, which="all")
+        s_flag_ids = set()
+        s_option_ids = set()
+
+        for out_format_info in l_out_format_infos:
+            out_format_id = out_format_info.id
+
+            s_flag_ids.update(self.d_out_format_flags.get(out_format_id, set()))
+            s_option_ids.update(self.d_out_format_options.get(out_format_id, set()))
+
+        l_flag_ids = list(s_flag_ids)
         l_flag_ids.sort()
         l_flag_info = [self.l_out_flag_info[x] for x in l_flag_ids]
 
-        l_option_ids = list(self.d_out_format_options.get(name, set()))
+        l_option_ids = list(s_option_ids)
         l_option_ids.sort()
         l_option_info = [self.l_out_option_info[x] for x in l_option_ids]
 

{psdi_data_conversion-0.2.3.dist-info → psdi_data_conversion-0.2.4.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: psdi_data_conversion
-Version: 0.2.3
+Version: 0.2.4
 Summary: Chemistry file format conversion service, provided by PSDI
 Project-URL: Homepage, https://data-conversion.psdi.ac.uk/
 Project-URL: Documentation, https://psdi-uk.github.io/psdi-data-conversion/

{psdi_data_conversion-0.2.3.dist-info → psdi_data_conversion-0.2.4.dist-info}/RECORD

@@ -2,7 +2,7 @@ psdi_data_conversion/__init__.py,sha256=urMsTqsTHTch1q4rMT9dgGnrvdPFMP9B8r-6Kr8H
 psdi_data_conversion/app.py,sha256=u26a6taxmS3Yn9o78hL1avpO-50BnbcMnJAuVn5XlEc,3607
 psdi_data_conversion/constants.py,sha256=eXE43_9YFahoehiUV7FtqN9MKb-UpSfY2win9ic9W8I,7348
 psdi_data_conversion/converter.py,sha256=OlwGKxI8nj76wrlVzP5S7fpXb6L-Ql8-mYLYGhW81Fk,27816
-psdi_data_conversion/database.py,sha256=uE2s9RelTmcsr8u42nKdTJfmobysO2PY-B_7rl7TecQ,65766
+psdi_data_conversion/database.py,sha256=dJudFtSAXy814Ymw8ht9Lzfs4v-A6hv5k2busaXJlKU,66524
 psdi_data_conversion/dist.py,sha256=Db7mbLLANfugaptrcWCoVddwHT2rdP4X4HuP6uxr9AI,2309
 psdi_data_conversion/file_io.py,sha256=SE7cXVedm5ZLdxDQ7W7L2R9LXTqJz2Tak9-YTvc7_js,9250
 psdi_data_conversion/log_utility.py,sha256=CHAq-JvBnTKaE0SHK5hM5j2dTbfSli4iUc3hsf6dBhc,8789
@@ -19,7 +19,7 @@ psdi_data_conversion/converters/__init__.py,sha256=15Ldt06eyZ0bgNPB4qg419U0Zcjt6
 psdi_data_conversion/converters/atomsk.py,sha256=_V33me1e4HW0-YXvdE-z6PdwtSK2gYV6QZf5d8aPqH4,1523
 psdi_data_conversion/converters/base.py,sha256=yGlwQmYcLSKP9DH2reTBGvJ-HhfxjO_dYo6qVX501Zw,36515
 psdi_data_conversion/converters/c2x.py,sha256=jDA84H8Jpz--ajTWNWX6K6oMfOMMbMxkA31-VnGi0gU,2019
-psdi_data_conversion/converters/openbabel.py,sha256=L1R9gc1oU2w_OUqU5Fduz_xT_l8ZPRVG915jOYnKCdE,16956
+psdi_data_conversion/converters/openbabel.py,sha256=2S3WZcYpS-FhKv2lqYndTWn-FNh8LeX3-Kc1nGw0y7s,16957
 psdi_data_conversion/gui/__init__.py,sha256=Q52GAaJWfNWGDOAEM_fIfAoivLIgM3krhVTiHFTRixM,125
 psdi_data_conversion/gui/accessibility.py,sha256=XQyAAJZQdIyRftfidhhVgsZXVtA9b9qZhwwFm899kbE,1302
 psdi_data_conversion/gui/env.py,sha256=nVuKzuE6z9ItH09ZRkooGRUTVZSHtPzSR9XrZVDHC-0,9235
@@ -87,8 +87,8 @@ psdi_data_conversion/testing/conversion_callbacks.py,sha256=ATR-_BsYCUN8KyOyUjfd
 psdi_data_conversion/testing/conversion_test_specs.py,sha256=PFzTZYonQ0PsZBKjcn0Hp-UPbwphT3zRH5v-VdNImmQ,27585
 psdi_data_conversion/testing/gui.py,sha256=ul7ixYANIzmOG2ZNOZmQO6wsHmGHdiBGAlw-KuoN0j8,19085
 psdi_data_conversion/testing/utils.py,sha256=uhJQUceaNmpQd3SioFLZVMExMVzO3Ds8V9DD2hqP-mQ,26700
-psdi_data_conversion-0.2.3.dist-info/METADATA,sha256=zCwJY99aohLJ_Cekj0rPP0mz2ieo8WI9qBu7ZuSM-Z8,50396
-psdi_data_conversion-0.2.3.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
-psdi_data_conversion-0.2.3.dist-info/entry_points.txt,sha256=xL7XTzaPRr2E67WhOD1M1Q-76hB8ausQlnNiHzuZQPA,123
-psdi_data_conversion-0.2.3.dist-info/licenses/LICENSE,sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ,11357
-psdi_data_conversion-0.2.3.dist-info/RECORD,,
+psdi_data_conversion-0.2.4.dist-info/METADATA,sha256=hlT0b9qN26H0fVAnNI7euuBjKKVl_VUR1SLAdAzJtBg,50396
+psdi_data_conversion-0.2.4.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
+psdi_data_conversion-0.2.4.dist-info/entry_points.txt,sha256=xL7XTzaPRr2E67WhOD1M1Q-76hB8ausQlnNiHzuZQPA,123
+psdi_data_conversion-0.2.4.dist-info/licenses/LICENSE,sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ,11357
+psdi_data_conversion-0.2.4.dist-info/RECORD,,