Merge pull request #75 from dkratzert/74-saving-a-multi-cif-more-than…

…-one-time-problem

74 saving a multi cif more than one time problem

docs/description.rst

@@ -74,7 +74,8 @@ Some CIF writing programs still use the 'global\_' keyword. You may circumvent t
 
 Since version 99, FinalCif supports multi-CIFs, so CIF files with multiple 'data\_' blocks can be
 opened and edited. Please note that auto-filling of missing values is disabled in multi-CIF mode.
-Some other minor details my not function as in single-CIF mode.
+Some other functions, such as renaming a data block, do not work in multi-CIF mode. It is advisable
+to complete each CIF before creating a multi-CIF.
 
 
 .. figure:: pics/multi_cif.png

finalcif/appwindow.py

@@ -1208,7 +1208,8 @@ def save_current_cif_file(self) -> Union[bool, None]:
         if not self.cif:
             # No file is opened
             return None
-        self.cif.rename_data_name(''.join(self.ui.datanameComboBox.currentText().split(' ')))
+        if not self.cif.is_multi_cif:
+            self.cif.rename_data_name(''.join(self.ui.datanameComboBox.currentText().split(' ')))
         self.store_data_from_table_rows()
         self.save_ccdc_number()
         try:

finalcif/cif/cif_file_io.py

@@ -613,8 +613,7 @@ def rename_data_name(self, newname: str = ''):
         Renames data_ tags to the newname. Also _vrf tags are renamed accordingly.
         http://journals.iucr.org/services/cif/checking/checkfaq.html
         """
-        # Have to use ord(), because Python 3.6 has not str.isascii():
-        newname = ''.join([i for i in newname if ord(i) < 127])
+        newname = ''.join([i for i in newname if i.isascii()])
         self.block.name = newname
         for item in self.block:
             if item.pair is not None: