PyPI - nerdd-module - Versions diffs - 0.3.41__tar.gz → 0.3.43__tar.gz - Mend

@@ -0,0 +1,52 @@
+from typing import Any, Callable
+from ..config import Module, ResultProperty
+from .converter import Converter
+from .converter_config import ALL, ConverterConfig
+__all__ = ["BasicTypeConverter", "basic_data_types"]
+basic_data_types = [
+    "integer",
+    "int",
+    "float",
+    "string",
+    "str",
+    "boolean",
+    "bool",
+]
+class BasicTypeConverter(Converter):
+    def __init__(
+        self,
+        module_config: Module,
+        result_property: ResultProperty,
+        output_format: str,
+        **kwargs: Any,
+    ) -> None:
+        super().__init__(module_config, result_property, output_format, **kwargs)
+        self.type = self.result_property.type
+        self._f: Callable[[Any], Any]
+        if self.type == "integer" or self.type == "int":
+            self._f = int
+        elif self.type == "float":
+            self._f = float
+        elif self.type == "string" or self.type == "str":
+            self._f = str
+        elif self.type == "boolean" or self.type == "bool":
+            self._f = bool
+        else:
+            self._f = lambda v: v
+    def _convert(self, input: Any, context: dict) -> Any:
+        if input is None:
+            return None
+        return self._f(input)
+    config = ConverterConfig(
+        data_types=basic_data_types,
+        output_formats=ALL,
+    )

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: nerdd-module
-Version: 0.3.41
+Version: 0.3.43
 Summary: Base package to create NERDD modules
 Author-email: Steffen Hirte <steffen.hirte@univie.ac.at>
 Maintainer-email: Steffen Hirte <steffen.hirte@univie.ac.at>

@@ -52,13 +52,21 @@ def predictions_atomic_mass_model(representations, version, multiplier):
     "all results are considered",
     target_fixture="subset",
 )
-def subset_without_none(predictions):
+def all_results(predictions):
     return predictions
 @when(
     "the subset of the result where the input was not None is considered",
     target_fixture="subset",
 )
-def subset_without_none(predictions):
+def subset_without_input_none(predictions):
     # remove None entries
     return [p for p in predictions if p["input_mol"] is not None]
+@when(
+    "the subset of the result where the preprocessed mol was not None is considered",
+    target_fixture="subset",
+)
+def subset_without_preprocessed_none(predictions):
+    # remove None entries
+    return [p for p in predictions if p["preprocessed_mol"] is not None]

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: nerdd-module
-Version: 0.3.41
+Version: 0.3.43
 Summary: Base package to create NERDD modules
 Author-email: Steffen Hirte <steffen.hirte@univie.ac.at>
 Maintainer-email: Steffen Hirte <steffen.hirte@univie.ac.at>

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "nerdd-module"
-version = "0.3.41"
+version = "0.3.43"
 description = "Base package to create NERDD modules"
 readme = "README.md"
 license = "BSD-3-Clause"

nerdd-module 0.3.41__tar.gz → 0.3.43__tar.gz