parsing/examples: Updated aimat.json

Author: Somerandomguy10111

tests/base_pattern.py

@@ -9,6 +9,7 @@ class ParserBaseTest(Unittest):
     def setUpClass(cls):
         cls.pattern: XrdPattern = XrdPattern.load(fpath=DataExamples.get_bruker_fpath())
         cls.parser : MasterParser = MasterParser()
+        cls.pattern.save(fpath=DataExamples.get_aimat_fpath(), force_overwrite=True)
 
     def check_data_ok(self, two_theta_values : list[float], intensities : list[float]):
         data_view = str(two_theta_values)[:100]+ '...' +  str(two_theta_values)[-100:]

tests/t_parsing/t_parser.py

@@ -81,7 +81,6 @@ def test_db_parsing_ok(self):
         self.assertIsInstance(all_db, PatternDB)
 
 
-
 if __name__ == "__main__":
     TestParserDatabase.execute_all()
     # TestCustomFormats.execute_all()

tests/t_pattern/t_pattern.py

@@ -14,10 +14,6 @@
 # ---------------------------------------------------------
 
 class TestXrdPattern(ParserBaseTest):
-    @classmethod
-    def get_fpath(cls) -> str:
-        return DataExamples.get_aimat_fpath()
-
     def test_save_load_roundtrip(self):
         unlabeled_pattern = XrdPattern.load(fpath=DataExamples.get_bruker_fpath())
         labeled_pattern = XrdPattern.load(fpath=DataExamples.get_bruker_fpath())

xrdpattern/crystal/components/crystal.py

@@ -3,14 +3,13 @@
 import json
 import logging
 from dataclasses import dataclass, asdict
-from types import NoneType
 from typing import Optional, Literal
 
 from distlib.util import cached_property
 from pymatgen.core import Structure, Lattice, Species, Element
 from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
 
-from xrdpattern.serialization import JsonDataclass, Serializable
+from xrdpattern.serialization import JsonDataclass
 from .atomic_site import AtomSite
 from .base import CrystalBasis
 

xrdpattern/parsing/examples/aimat.json

@@ -67,8 +67,10 @@ def from_cif(cls, cif_content : str) -> PowderExperiment:
     # properties
 
     def is_nonempty(self) -> bool:
-        xray_info_nonemtpy = self.xray_info.primary_wavelength or self.xray_info.secondary_wavelength
-        
+        xray_info_nonemtpy = not self.xray_info.primary_wavelength is None or not self.xray_info.secondary_wavelength is None
+        if len(self.phases) == 0:
+            return xray_info_nonemtpy
+
         primary_phase = self.phases[0]
         composition_nonempty = primary_phase.chemical_composition