From 750b63cfa7302ae3584bfdc464933da6e9d972c5 Mon Sep 17 00:00:00 2001
From: Thomas Kluyver <thomas.kluyver@xfel.eu>
Date: Fri, 7 Feb 2025 17:55:34 +0000
Subject: [PATCH] Rough sketch of injecting new constants after report creation
---
src/xfel_calibrate/calibrate.py | 12 +++++++++++-
src/xfel_calibrate/finalize.py | 19 ++++++++++++++++++-
src/xfel_calibrate/nb_args.py | 4 ++++
3 files changed, 33 insertions(+), 2 deletions(-)
diff --git a/src/xfel_calibrate/calibrate.py b/src/xfel_calibrate/calibrate.py
index 61f35e0a8..0b4b1173f 100755
--- a/src/xfel_calibrate/calibrate.py
+++ b/src/xfel_calibrate/calibrate.py
@@ -208,7 +208,9 @@ def create_finalize_script(fmt_args, cal_work_dir, job_list) -> str:
report_to='{{report_to}}',
data_path='{{in_folder}}',
request_time='{{request_time}}',
- submission_time='{{submission_time}}')
+ submission_time='{{submission_time}}',
+ inject={{inject}},
+ )
""")
@@ -851,6 +853,13 @@ def run(argv=None):
))
errors = False
+ # If the notebook has a db_output parameter, assume it will do the injection
+ # itself.
+ inject = args['db_output'] and 'db_output' not in default_params_by_name
+ if inject and nb_details.caltype == 'CORRECT':
+ print("Ignoring --db-output for CORRECT task (this is for characterisation")
+ inject = False
+
fmt_args = {'cal_work_dir': cal_work_dir,
'out_path': out_path,
'version': version,
@@ -860,6 +869,7 @@ def run(argv=None):
'in_folder': folder,
'request_time': request_time.isoformat(),
'submission_time': submission_time.isoformat(),
+ 'inject': inject,
}
joblist.append(run_finalize(
diff --git a/src/xfel_calibrate/finalize.py b/src/xfel_calibrate/finalize.py
index c2c46b513..d5e6ef07f 100644
--- a/src/xfel_calibrate/finalize.py
+++ b/src/xfel_calibrate/finalize.py
@@ -10,10 +10,13 @@ from tempfile import TemporaryDirectory
from textwrap import dedent
from typing import Dict, List
+import h5py
import tabulate
from jinja2 import Template
import cal_tools.tools
+from cal_tools.constants import inject_ccv
+from cal_tools.restful_config import extra_calibration_client
from .settings import logo_path
@@ -387,7 +390,7 @@ def tex_escape(text):
def finalize(joblist, finaljob, cal_work_dir, out_path, version, title, author, report_to, data_path='Unknown',
- request_time='', submission_time=''):
+ request_time='', submission_time='', inject=False):
cal_work_dir = Path(cal_work_dir)
out_path = Path(out_path)
@@ -458,3 +461,17 @@ def finalize(joblist, finaljob, cal_work_dir, out_path, version, title, author,
tmp_path = Path(td, f"calibration_metadata.yml")
copy(md_path, tmp_path)
tmp_path.replace(out_path / "calibration_metadata.yml")
+
+ if inject:
+ client = extra_calibration_client(inject=True)
+ consts = list(out_path.glob("*.h5"))
+ print(f"Injecting constants from {len(consts)} files")
+ for p in consts:
+ print(f" {p.name}")
+ with h5py.File(p, "r") as hf:
+ for pdu_name, grp in hf.items():
+ for calibration in grp.keys():
+ print(f" {calibration}: {pdu_name} ...", end="", flush=True)
+ group_path = f"{pdu_name}/{calibration}/0"
+ inject_ccv(p, group_path, report_to, client=client)
+ print("done")
diff --git a/src/xfel_calibrate/nb_args.py b/src/xfel_calibrate/nb_args.py
index f63265ca7..2f4d6dd7c 100644
--- a/src/xfel_calibrate/nb_args.py
+++ b/src/xfel_calibrate/nb_args.py
@@ -79,6 +79,10 @@ def make_initial_parser(**kwargs):
parser.add_argument('--vector-figs', action="store_true", default=False,
help="Use vector graphics for figures in the report.")
+ parser.add_argument('--db-output', action="store_true",
+ help="Inject produced constants to CalCat after "
+ "characterisation")
+
parser.add_argument('--slurm-mincpus', type=int, default=1,
help='Requested minimum number of '
'logical cpus/processors per node')
--
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