finalcif 154__tar.gz → 155__tar.gz

{finalcif-154 → finalcif-155}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: finalcif
-Version: 154
+Version: 155
 Summary: CIF file editor
 Project-URL: Homepage, https://dkratzert.de/finalcif.html
 Project-URL: Bug Tracker, https://github.com/dkratzert/FinalCif/issues

finalcif-155/finalcif/__init__.py

@@ -0,0 +1,2 @@
+
+VERSION = 155

{finalcif-154 → finalcif-155}/finalcif/appwindow.py

@@ -921,7 +921,7 @@ class AppWindow(QMainWindow):
         url = QtCore.QUrl.fromLocalFile(str(self.htmlfile.resolve()))
         self.ui.MainStackedWidget.go_to_checkcif_page()
         self.ui.CheckCIFResultsTabWidget.setCurrentIndex(1)  # Index 1 is html page
-        self.checkcif_browser.load(url)
+        self.checkcif_browser.setHtml(self.htmlfile.resolve().read_text('utf-8', 'ignore'))
         self.ui.ResponsesTabWidget.setCurrentIndex(0)
         threading.Thread(target=self._display_structure_factor_report, args=(parser,)).start()
         # The picture file linked in the html file:
@@ -979,7 +979,8 @@ class AppWindow(QMainWindow):
         self.ckf = CheckCif(parent=self, cif=self.cif, outfile=self.htmlfile,
                             hkl_upload=(not self.ui.structfactCheckBox.isChecked()), pdf=False,
                             url=self.options.checkcif_url,
-                            full_iucr=self.ui.fullIucrCheckBox.isChecked())
+                            full_iucr=self.ui.fullIucrCheckBox.isChecked(),
+                            check_duplicates=self.ui.checkDuplicatesCheckBox.isChecked())
         self.ckf.progress.connect(self._ckf_progress)
         self.ckf.failed.connect(self._checkcif_failed)
         self.ckf.finished.connect(self._checkcif_finished)
@@ -1052,7 +1053,8 @@ class AppWindow(QMainWindow):
         self.ckf = CheckCif(parent=self, cif=self.cif, outfile=htmlfile,
                             hkl_upload=(not self.ui.structfactCheckBox.isChecked()),
                             pdf=True, url=self.options.checkcif_url,
-                            full_iucr=self.ui.fullIucrCheckBox.isChecked())
+                            full_iucr=self.ui.fullIucrCheckBox.isChecked(),
+                            check_duplicates=self.ui.checkDuplicatesCheckBox.isChecked())
         self.ckf.failed.connect(self._checkcif_failed)
         # noinspection PyUnresolvedReferences
         self.ckf.finished.connect(self._pdf_checkcif_finished)

{finalcif-154 → finalcif-155}/finalcif/cif/checkcif/checkcif.py

@@ -25,7 +25,7 @@ class CheckCif(QThread):
     failed = Signal(str)
 
     def __init__(self, parent, cif: CifContainer, outfile: Path, hkl_upload: bool = True,
-                 pdf: bool = False, url: str = '', full_iucr: bool = False):
+                 pdf: bool = False, url: str = '', full_iucr: bool = False, check_duplicates: bool = True):
         # hkl == False means no hkl upload
         super().__init__(parent=parent)
         self.hkl_upload = hkl_upload
@@ -34,6 +34,7 @@ class CheckCif(QThread):
         self.pdf = pdf
         self.checkcif_url = url
         self.full_iucr = full_iucr
+        self.check_duplicates = check_duplicates
 
     def _html_check(self) -> None:
         if self.hkl_upload:
@@ -63,11 +64,13 @@ class CheckCif(QThread):
             validation_type = 'checkcif_with_hkl'
         vrf = self.get_vrf()
         headers = {
+            "from_index": "from_index",
             "runtype"   : "symmonly",
             "referer"   : "checkcif_server",
             "outputtype": 'PDF' if self.pdf else 'HTML',
             "validtype" : validation_type,
             "valout"    : vrf,
+            "duplic"    : "duplicyes" if self.check_duplicates else "duplicno",
         }
         t1 = time.perf_counter()
         self.progress.emit('Report request sent. Please wait...')