diff common.py @ 0:f59731986b61 draft

planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_lcf commit 5be486890442dedfb327289d597e1c8110240735

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/common.py	Tue Nov 14 15:35:22 2023 +0000
@@ -0,0 +1,46 @@
+from typing import Iterable
+
+from larch.io import extract_athenagroup, read_athena
+from larch.io.athena_project import AthenaGroup
+from larch.symboltable import Group
+from larch.xafs import autobk, pre_edge, xftf
+
+
+def get_group(athena_group: AthenaGroup, key: str = None) -> Group:
+    if key is None:
+        group_keys = list(athena_group._athena_groups.keys())
+        key = group_keys[0]
+    return extract_athenagroup(athena_group._athena_groups[key])
+
+
+def read_group(dat_file: str, key: str = None, xftf_params: dict = None):
+    athena_group = read_athena(dat_file)
+    group = get_group(athena_group, key)
+    bkg_parameters = group.athena_params.bkg
+    print(group.athena_params.fft)
+    print(group.athena_params.fft.__dict__)
+    pre_edge(
+        group,
+        e0=bkg_parameters.e0,
+        pre1=bkg_parameters.pre1,
+        pre2=bkg_parameters.pre2,
+        norm1=bkg_parameters.nor1,
+        norm2=bkg_parameters.nor2,
+        nnorm=bkg_parameters.nnorm,
+        make_flat=bkg_parameters.flatten,
+    )
+    autobk(group)
+    if xftf_params is None:
+        xftf(group)
+    else:
+        print(xftf_params)
+        xftf(group, **xftf_params)
+        xftf_details = Group()
+        setattr(xftf_details, "call_args", xftf_params)
+        group.xftf_details = xftf_details
+    return group
+
+
+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)