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Update ptm processing #25

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merged 39 commits into from
Mar 21, 2025
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774e2db
clear outputs
ammarcsj Apr 25, 2024
71b4b36
remove unused row
ammarcsj Apr 25, 2024
b7d4dd0
handle case where nvals_c1 = nvals_c2
ammarcsj May 2, 2024
046eb21
handle case where nvals_c1 = nvals_c2 on prot level
ammarcsj May 2, 2024
dc9366e
remove per-condition mapping
ammarcsj May 2, 2024
4253db3
set pval threshold higher again
ammarcsj May 2, 2024
c1dc93d
Merge branch 'development' into update_ptm_processing
ammarcsj Jul 25, 2024
aa85d58
change minrep -> min_valid_values, add valid_values_filter_mode
ammarcsj Mar 17, 2025
ff0b2b9
adapt data filtering functions to new dataframe schema
ammarcsj Mar 17, 2025
603adb9
adapt condpair analysis to new min_valid_value semantics
ammarcsj Mar 18, 2025
6266da5
ensure backwards compatibility
ammarcsj Mar 18, 2025
06a404c
Merge branch 'main' into update_ptm_processing
ammarcsj Mar 19, 2025
73d6e79
fix wording
ammarcsj Mar 19, 2025
c8ca252
rename function
ammarcsj Mar 19, 2025
5619886
change minrep -> min_valid_values
ammarcsj Mar 19, 2025
b20d9bc
set thresholds more stringent
ammarcsj Mar 19, 2025
fc9213a
change to min valid value semantics
ammarcsj Mar 20, 2025
b0c79c2
rename variable
ammarcsj Mar 20, 2025
3db72bb
update docstring
ammarcsj Mar 20, 2025
668423e
translate filter mode
ammarcsj Mar 20, 2025
1bc0211
add constant
ammarcsj Mar 20, 2025
63ae833
raise excl threshold
ammarcsj Mar 20, 2025
c3f0758
add todo
ammarcsj Mar 21, 2025
a75063c
ensure file ends with trailing separator
ammarcsj Mar 21, 2025
e2df03d
remove print statement
ammarcsj Mar 21, 2025
cdee4a0
pass advanced configurations
ammarcsj Mar 21, 2025
692e9d6
change advanced settings layout
ammarcsj Mar 21, 2025
c2b6d86
fix typo
ammarcsj Mar 21, 2025
155996c
move ptm settings field up
ammarcsj Mar 21, 2025
be5dddb
remove default value from minrep
ammarcsj Mar 21, 2025
310f753
adapt to min_valid_values
ammarcsj Mar 21, 2025
794a9dd
adapt to min_valid_values
ammarcsj Mar 21, 2025
93920f4
Merge branch 'change_minrep_semantics' into update_ptm_processing
ammarcsj Mar 21, 2025
83a9445
increase tolerance
ammarcsj Mar 21, 2025
f552700
change defaults for ptm counting statistics
ammarcsj Mar 21, 2025
fbb3323
improve wording
ammarcsj Mar 21, 2025
ddc22aa
set processing to "both"
ammarcsj Mar 21, 2025
12c6def
add switch to enable ptm counting statistics
ammarcsj Mar 21, 2025
1705740
fix different input tables
ammarcsj Mar 21, 2025
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pass advanced configurations
  • Loading branch information
ammarcsj committed Mar 21, 2025
commit cdee4a01b8be2b04123a20f55f8146e282f79135
31 changes: 21 additions & 10 deletions alphaquant/ui/dashboard_parts_run_pipeline.py
Original file line number Diff line number Diff line change
@@ -396,43 +396,43 @@ def _make_widgets(self):
)

self.switches = {
'use_ml': pn.widgets.Switch(
'use_ml': pn.widgets.Checkbox(
name='Enable machine learning',
value=True
),
'take_median_ion': pn.widgets.Switch(
'take_median_ion': pn.widgets.Checkbox(
name='Use median-centered ions',
value=True
),
'perform_ptm_mapping': pn.widgets.Switch(
'perform_ptm_mapping': pn.widgets.Checkbox(
name='Enable PTM mapping',
value=False
),
'perform_phospho_inference': pn.widgets.Switch(
'perform_phospho_inference': pn.widgets.Checkbox(
name='Enable phospho inference',
value=False
),
'outlier_correction': pn.widgets.Switch(
'outlier_correction': pn.widgets.Checkbox(
name='Enable outlier correction',
value=True
),
'normalize': pn.widgets.Switch(
'normalize': pn.widgets.Checkbox(
name='Enable normalization',
value=True
),
'use_iontree_if_possible': pn.widgets.Switch(
'use_iontree_if_possible': pn.widgets.Checkbox(
name='Use ion tree when possible',
value=True
),
'write_out_results_tree': pn.widgets.Switch(
'write_out_results_tree': pn.widgets.Checkbox(
name='Write results tree',
value=True
),
'use_multiprocessing': pn.widgets.Switch(
'use_multiprocessing': pn.widgets.Checkbox(
name='Enable multiprocessing',
value=False
),
'runtime_plots': pn.widgets.Switch(
'runtime_plots': pn.widgets.Checkbox(
name='Generate runtime plots',
value=True
),
@@ -757,6 +757,17 @@ def _run_pipeline(self, *events):
"min_valid_values": self._get_min_valid_values(),
"min_valid_values_c1": self.min_valid_values_c1.value if self.valid_values_filter_mode.value == 'set min. valid values per condition' else None,
"min_valid_values_c2": self.min_valid_values_c2.value if self.valid_values_filter_mode.value == 'set min. valid values per condition' else None,
# Add the switch values to the pipeline parameters
'use_ml': self.switches['use_ml'].value,
'take_median_ion': self.switches['take_median_ion'].value,
'perform_ptm_mapping': self.switches['perform_ptm_mapping'].value,
'perform_phospho_inference': self.switches['perform_phospho_inference'].value,
'outlier_correction': self.switches['outlier_correction'].value,
'normalize': self.switches['normalize'].value,
'use_iontree_if_possible': self.switches['use_iontree_if_possible'].value,
'write_out_results_tree': self.switches['write_out_results_tree'].value,
'use_multiprocessing': self.switches['use_multiprocessing'].value,
'runtime_plots': self.switches['runtime_plots'].value,
}

# Log key parameters