diff --git a/tools/ipapy2/__pycache__/utils.cpython-313.pyc b/tools/ipapy2/__pycache__/utils.cpython-313.pyc
new file mode 100644
index 00000000..edabc682
Binary files /dev/null and b/tools/ipapy2/__pycache__/utils.cpython-313.pyc differ
diff --git a/tools/ipapy2/ipapy2_MS1_annotation.py b/tools/ipapy2/ipapy2_MS1_annotation.py
index 6b278d04..e6ee29b1 100644
--- a/tools/ipapy2/ipapy2_MS1_annotation.py
+++ b/tools/ipapy2/ipapy2_MS1_annotation.py
@@ -1,4 +1,6 @@
import argparse
+
+
from ipaPy2 import ipa
from utils import LoadDataAction, StoreOutputAction, flattern_annotations
diff --git a/tools/ipapy2/ipapy2_MS1_annotation.xml b/tools/ipapy2/ipapy2_MS1_annotation.xml
index f20e4c1a..ba54349f 100644
--- a/tools/ipapy2/ipapy2_MS1_annotation.xml
+++ b/tools/ipapy2/ipapy2_MS1_annotation.xml
@@ -53,7 +53,7 @@
-
+
diff --git a/tools/ipapy2/ipapy2_MS2_annotation.py b/tools/ipapy2/ipapy2_MS2_annotation.py
index 4939fc4e..f41dad16 100644
--- a/tools/ipapy2/ipapy2_MS2_annotation.py
+++ b/tools/ipapy2/ipapy2_MS2_annotation.py
@@ -1,6 +1,8 @@
import argparse
+
+
from ipaPy2 import ipa
-from utils import LoadDataAction, StoreOutputAction, flattern_annotations
+from utils import flattern_annotations, LoadDataAction, StoreOutputAction
def main(
diff --git a/tools/ipapy2/ipapy2_clustering.py b/tools/ipapy2/ipapy2_clustering.py
index b3ab3a4a..4cd6a35e 100644
--- a/tools/ipapy2/ipapy2_clustering.py
+++ b/tools/ipapy2/ipapy2_clustering.py
@@ -1,13 +1,14 @@
import argparse
+
+
from ipaPy2 import ipa
from utils import LoadDataAction, StoreOutputAction
def main(input_dataset, Cthr, RTwin, Intmode, output_dataset):
- unclustered_df = input_dataset
write_func, file_path = output_dataset
clustered_df = ipa.clusterFeatures(
- unclustered_df, Cthr=Cthr, RTwin=RTwin, Intmode=Intmode
+ input_dataset, Cthr=Cthr, RTwin=RTwin, Intmode=Intmode
)
write_func(clustered_df, file_path)
diff --git a/tools/ipapy2/ipapy2_compute_all_adducts.py b/tools/ipapy2/ipapy2_compute_all_adducts.py
index f83ff71a..4a317155 100644
--- a/tools/ipapy2/ipapy2_compute_all_adducts.py
+++ b/tools/ipapy2/ipapy2_compute_all_adducts.py
@@ -1,4 +1,6 @@
import argparse
+
+
from ipaPy2 import ipa
from utils import LoadDataAction, StoreOutputAction
@@ -6,10 +8,14 @@
def main(
input_dataset_adducts, input_dataset_database, ionisation, output_dataset, ncores
):
- adducts_df = input_dataset_adducts
- database_df = input_dataset_database
write_func, file_path = output_dataset
- adducts_df = ipa.compute_all_adducts(adducts_df, database_df, ionisation, ncores)
+ adducts_df = ipa.compute_all_adducts(
+ input_dataset_adducts,
+ input_dataset_database,
+ ionisation,
+ ncores
+ )
+
write_func(adducts_df, file_path)
diff --git a/tools/ipapy2/ipapy2_compute_bio.py b/tools/ipapy2/ipapy2_compute_bio.py
index bd8b5976..3d168594 100644
--- a/tools/ipapy2/ipapy2_compute_bio.py
+++ b/tools/ipapy2/ipapy2_compute_bio.py
@@ -1,4 +1,6 @@
import argparse
+
+
from ipaPy2 import ipa
from utils import LoadDataAction, StoreOutputAction, group_by_peak_id
diff --git a/tools/ipapy2/ipapy2_gibbs_sampler.py b/tools/ipapy2/ipapy2_gibbs_sampler.py
index 47725efe..466a20ad 100644
--- a/tools/ipapy2/ipapy2_gibbs_sampler.py
+++ b/tools/ipapy2/ipapy2_gibbs_sampler.py
@@ -1,11 +1,13 @@
import argparse
+
+
from ipaPy2 import ipa
from utils import (
+ flattern_annotations,
+ group_by_peak_id,
LoadDataAction,
- StoreOutputAction,
LoadTextAction,
- group_by_peak_id,
- flattern_annotations,
+ StoreOutputAction,
)
diff --git a/tools/ipapy2/ipapy2_gibbs_sampler_add.py b/tools/ipapy2/ipapy2_gibbs_sampler_add.py
index 0578fce5..e1e94e7b 100644
--- a/tools/ipapy2/ipapy2_gibbs_sampler_add.py
+++ b/tools/ipapy2/ipapy2_gibbs_sampler_add.py
@@ -1,11 +1,13 @@
import argparse
+
+
from ipaPy2 import ipa
from utils import (
+ flattern_annotations,
+ group_by_peak_id,
LoadDataAction,
- StoreOutputAction,
LoadTextAction,
- group_by_peak_id,
- flattern_annotations,
+ StoreOutputAction,
)
diff --git a/tools/ipapy2/ipapy2_map_isotope_patterns.py b/tools/ipapy2/ipapy2_map_isotope_patterns.py
index 3ecd219d..85f23221 100644
--- a/tools/ipapy2/ipapy2_map_isotope_patterns.py
+++ b/tools/ipapy2/ipapy2_map_isotope_patterns.py
@@ -1,4 +1,6 @@
import argparse
+
+
from ipaPy2 import ipa
from utils import LoadDataAction, StoreOutputAction
diff --git a/tools/ipapy2/ipapy2_map_isotope_patterns.xml b/tools/ipapy2/ipapy2_map_isotope_patterns.xml
index 2cb09328..5852d23e 100644
--- a/tools/ipapy2/ipapy2_map_isotope_patterns.xml
+++ b/tools/ipapy2/ipapy2_map_isotope_patterns.xml
@@ -26,7 +26,7 @@
Difference between isotopes of charge 1.
-
+
mininum intensity ratio expressed (Default value 1%).
diff --git a/tools/ipapy2/macros.xml b/tools/ipapy2/macros.xml
index 63cac97a..31d8fc3c 100644
--- a/tools/ipapy2/macros.xml
+++ b/tools/ipapy2/macros.xml
@@ -24,15 +24,8 @@
-
-
-
- Maximum ppm value allowed between 2 isotopes. Default value 100.
-
-
-
-
+
Maximum ppm value allowed between 2 isotopes. Default value 100.