diff common.py @ 4:c2d5bfef5b63 draft

planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_lcf commit 4814f53888643f1d3667789050914675fffb7d59

--- a/common.py	Thu Apr 11 09:02:19 2024 +0000
+++ b/common.py	Fri Aug 23 14:10:44 2024 +0000
@@ -1,3 +1,4 @@
+import re
 from typing import Iterable
 
 from larch.io import extract_athenagroup, read_athena
@@ -10,8 +11,6 @@
     group_keys = list(athena_group.keys())
     if key is None:
         key = group_keys[0]
-    else:
-        key = key.replace("-", "_")
 
     try:
         return extract_athenagroup(athena_group.groups[key])
@@ -19,7 +18,7 @@
         raise KeyError(f"{key} not in {group_keys}") from e
 
 
-def read_all_groups(dat_file: str, key: str = None) -> "dict[str, Group]":
+def read_all_groups(dat_file: str) -> "dict[str, Group]":
     # Cannot rely on do_ABC as _larch is None
     athena_group = read_athena(
         dat_file,
@@ -39,14 +38,20 @@
 
 
 def read_group(dat_file: str, key: str = None):
+    if key:
+        match_ = key.replace(" ", "_").replace("-", "_").replace(".", "_")
+    else:
+        match_ = None
+
     # Cannot rely on do_ABC as _larch is None
     athena_group = read_athena(
         dat_file,
+        match=match_,
         do_preedge=False,
         do_bkg=False,
         do_fft=False,
     )
-    group = get_group(athena_group, key)
+    group = get_group(athena_group, match_)
     pre_edge_with_defaults(group=group)
     xftf_with_defaults(group=group)
     return group
@@ -168,3 +173,7 @@
 def read_groups(dat_files: "list[str]", key: str = None) -> Iterable[Group]:
     for dat_file in dat_files:
         yield read_group(dat_file=dat_file, key=key)
+
+
+def sorting_key(filename: str) -> str:
+    return re.findall(r"\d+", filename)[-1]