From 5a949124da16c03e2b04305188d761d7585e8cb1 Mon Sep 17 00:00:00 2001
From: David Moreau <dwmoreau@login05.chn.perlmutter.nersc.gov>
Date: Thu, 9 Jan 2025 04:03:34 -0800
Subject: [PATCH] Expt. filter for nobs and resolution

---
 xfel/merging/application/filter/experiment_filter.py | 11 ++++++-----
 xfel/merging/application/phil/phil.py                |  7 +++++--
 2 files changed, 11 insertions(+), 7 deletions(-)

diff --git a/xfel/merging/application/filter/experiment_filter.py b/xfel/merging/application/filter/experiment_filter.py
index ee229d08a1..2afaa2990d 100644
--- a/xfel/merging/application/filter/experiment_filter.py
+++ b/xfel/merging/application/filter/experiment_filter.py
@@ -10,9 +10,9 @@ def __init__(self, params, mpi_helper=None, mpi_logger=None):
     super(experiment_filter, self).__init__(params=params, mpi_helper=mpi_helper, mpi_logger=mpi_logger)
 
   def validate(self):
-    filter_by_unit_cell = 'unit_cell' in self.params.filter.algorithm[0]
-    filter_by_n_obs = 'n_obs' in self.params.filter.algorithm[0]
-    filter_by_resolution = 'resolution' in self.params.filter.algorithm[0]
+    filter_by_unit_cell = 'unit_cell' in self.params.filter.algorithm
+    filter_by_n_obs = 'n_obs' in self.params.filter.algorithm
+    filter_by_resolution = 'resolution' in self.params.filter.algorithm
     if filter_by_unit_cell:
       assert self.params.filter.unit_cell.value.target_space_group is not None, \
         'Space group is required for unit cell filtering'
@@ -27,7 +27,6 @@ def validate(self):
     if filter_by_resolution:
       assert self.params.filter.resolution.d_min is not None, \
         'd_min is required for resolution filtering'
-    return filter_by_unit_cell, filter_by_n_obs, filter_by_resolution
 
   def __repr__(self):
     return 'Filter experiments'
@@ -80,7 +79,9 @@ def check_cluster(self, experiment):
     return m_distance < self.params.filter.unit_cell.cluster.covariance.mahalanobis
 
   def run(self, experiments, reflections):
-    filter_by_unit_cell, filter_by_n_obs, filter_by_resolution = self.validate()
+    filter_by_unit_cell = 'unit_cell' in self.params.filter.algorithm
+    filter_by_n_obs = 'n_obs' in self.params.filter.algorithm
+    filter_by_resolution = 'resolution' in self.params.filter.algorithm
     # only "unit_cell" "n_obs" and "resolution" algorithms are supported
     if (not filter_by_unit_cell) and (not filter_by_n_obs) and (not filter_by_resolution):
       return experiments, reflections
diff --git a/xfel/merging/application/phil/phil.py b/xfel/merging/application/phil/phil.py
index 0716c5ecb4..4abffd7194 100644
--- a/xfel/merging/application/phil/phil.py
+++ b/xfel/merging/application/phil/phil.py
@@ -131,8 +131,7 @@
   .help = refer to the select section for filtering of individual reflections
   {
   algorithm = n_obs resolution unit_cell
-    .type = strings
-    .multiple = True
+    .type = choice(multi=True)
   n_obs {
     min = None
       .type = int
@@ -541,6 +540,10 @@
         .help = If True - use correlation coefficient determined after post-refinement.\
                 If False - use correlation coefficient determined before. \
                 If post-refinement is not performed, must be False.
+      constant_sadd = False
+        .type = bool
+        .help = If False, parameterize sadd with the correlation coefficient.\
+                If True, use a constant sadd.
       do_diagnostics = False
         .type = bool
         .help = Make diagnostic plots.