finalcif 151__tar.gz → 152__tar.gz

{finalcif-151 → finalcif-152}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: finalcif
-Version: 151
+Version: 152
 Summary: CIF file editor
 Project-URL: Homepage, https://dkratzert.de/finalcif.html
 Project-URL: Bug Tracker, https://github.com/dkratzert/FinalCif/issues
@@ -16,7 +16,7 @@ Requires-Dist: certifi
 Requires-Dist: chardet
 Requires-Dist: crossrefapi
 Requires-Dist: docxtpl
-Requires-Dist: gemmi<0.7.0
+Requires-Dist: gemmi
 Requires-Dist: hatchling>=1.27.0
 Requires-Dist: html2text
 Requires-Dist: lxml
@@ -24,6 +24,8 @@ Requires-Dist: numpy
 Requires-Dist: pefile
 Requires-Dist: pybind11
 Requires-Dist: pyenchant
+Requires-Dist: pyqt5
+Requires-Dist: pyqt5-qt5==5.15.2
 Requires-Dist: pyside6<6.9
 Requires-Dist: python-docx
 Requires-Dist: qtawesome

finalcif-152/finalcif/__init__.py

@@ -0,0 +1,2 @@
+
+VERSION = 152

{finalcif-151 → finalcif-152}/finalcif/cif/hkl.py

@@ -5,6 +5,7 @@ from pathlib import Path
 import gemmi
 import numpy as np
 from gemmi.cif import Loop, Document, Style
+from packaging import version
 
 Limit = namedtuple('Limit', 'h_max, h_min, k_max, k_min, l_max, l_min')
 
@@ -30,7 +31,10 @@ class HKL:
 
     @property
     def hkl_as_cif(self) -> str:
-        return self._doc.as_string(style=Style.Simple)
+        if version.parse(gemmi.__version__) < version.parse('0.5.1'):
+            return self._doc.as_string(style=Style.Simple)
+        else:
+            return self._doc.as_string(options=gemmi.cif.WriteOptions(Style.Simple))
 
     def _add_hkl_as_loop(self) -> None:
         """

{finalcif-151 → finalcif-152}/finalcif/equip_property/author_loop_templates.py

@@ -59,6 +59,7 @@ class AuthorLoops:
                           f'{self.cif_key}_phone', f'{self.cif_key}_id_orcid', f'{self.cif_key}_id_iucr',
                           f'{self.cif_key}_footnote']
         self.settings = FinalCifSettings()
+        self._migrate_pyqt_saved_templates()
         if app:
             self.ui.authorEditTabWidget.setCurrentIndex(0)
             self.contact_author_checked(self.ui.ContactAuthorCheckBox.isChecked())
@@ -67,6 +68,30 @@ class AuthorLoops:
             self.show_authors_list()
             self.make_sure_to_save_only_when_name_field_has_text()
 
+    def _migrate_pyqt_saved_templates(self) -> None:
+        """Author entries saved by PyQt5 (pre-v151) cannot be loaded by PySide2. Load such entries
+        using PyQt5 and re-save with PySide2.
+        """
+
+        UPGRADE_FLAG = "v152_migrated_author_templates"
+        if self.settings.load_value_of_key(UPGRADE_FLAG):
+            return
+
+        import PyQt5.QtCore
+        pyqt_settings = PyQt5.QtCore.QSettings(self.settings.organization, self.settings.software_name)
+
+        pyqt_settings.beginGroup("authors_list")
+        for author in self.authors_list():
+            pyside_loopdata = self.author_loopdata(author)
+            pyqt_loopdata = pyqt_settings.value(author)
+            if not pyside_loopdata and isinstance(pyqt_loopdata, Author):
+                self.general_author_save(pyqt_loopdata)
+                print(f"Migrated pre-v151 saved author data for \"{author}\".")
+        pyqt_settings.endGroup()
+
+        self.settings.save_key_value(UPGRADE_FLAG, True)
+        del pyqt_settings
+
     def connect_signals_and_slots(self) -> None:
         self.ui.AddThisAuthorToLoopPushButton.clicked.connect(self.save_author_to_loop)
         self.ui.AddThisAuthorToLoopPushButton_cif.clicked.connect(self.save_author_to_loop)

{finalcif-151 → finalcif-152}/pyproject.toml

@@ -25,12 +25,14 @@ dependencies = [
     "wheel",
     "certifi",
     "chardet",
-    "gemmi<0.7.0",
+    "gemmi",
     "html2text",
     "lxml",
     "pefile",
     "pybind11",
     "pyside6<6.9",
+    "PyQt5",
+    "PyQt5-Qt5==5.15.2",
     "python-docx",
     "QtAwesome",
     "QtPy",