psdi-data-conversion 0.2.3__tar.gz → 0.2.4__tar.gz

{psdi_data_conversion-0.2.3 → psdi_data_conversion-0.2.4}/CHANGELOG.md

@@ -1,5 +1,11 @@
 # Changelog for PSDI Data Conversion
 
+## v0.2.4
+
+### Bugfixes
+
+- Fixed false warnings which said that every format option was unsupported
+
 ## v0.2.3
 
 ### New and Changed Functionality

{psdi_data_conversion-0.2.3 → psdi_data_conversion-0.2.4}/PKG-INFO

@@ -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 → psdi_data_conversion-0.2.4}/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-0.2.3 → psdi_data_conversion-0.2.4}/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]