Fixed Iterable import and SHELX testing threshold (#73)

Author: paulsbond

CHANGELOG.md

@@ -4,6 +4,8 @@
 
 - Avoid re-importing files with the same checksum
 - Fix for the Coot RSR Morph task on Windows
+- Fixed collections.Iterable import
+- Changed some performance testing thresholds
 
 ## [2.3.1] - 2025-05-17
 

pipelines/crank2/crank2/program.py

@@ -1,5 +1,6 @@
 from __future__ import with_statement
 import os,sys,copy,re
+from collections.abc import Iterable
 from xml.etree import ElementTree as ET
 import subprocess,threading,time
 from distutils import spawn
@@ -437,8 +438,7 @@ def GetStatGrep(self, stat, param=[], from_str=None, param_escape=True, multiple
       f = open(logfile,"r")
       from_str = f.read()
     if param:
-      import collections
-      if common.is_string(param) or not isinstance(param, collections.Iterable):
+      if common.is_string(param) or not isinstance(param, Iterable):
         param = [param,]
       if param_escape:
         param = [re.escape(str(p)) for p in param]

test/i2run/test_shelx.py

@@ -19,7 +19,7 @@ def test_gamma_sad():
     with i2run(args) as job:
         read_pdb(str(job / "n_part.pdb"))
         read_pdb(str(job / "n_PDBCUR.pdb"))
-        _check_output(job, min_fom=0.7, max_rwork=0.21, max_rfree=0.25)
+        _check_output(job, min_fom=0.7, max_rwork=0.22, max_rfree=0.25)
 
 
 def test_gamma_siras():