Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Update matchms to 0.23.1 #416

Merged
merged 4 commits into from
Oct 19, 2023
Merged

Update matchms to 0.23.1 #416

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
4 commits
Select commit Hold shift + click to select a range
692a2d6
removed matchms similarity wrapper
hechth Oct 18, 2023
1a1b590
updated matchms version
hechth Oct 18, 2023
6209a03
added filtering option for matchms & spec2vec
hechth Oct 18, 2023
b8ea8d1
Removed filtering option as it can't be disabled at the moment
hechth Oct 19, 2023
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
2 changes: 1 addition & 1 deletion tools/matchms/macros.xml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
<macros>
<token name="@TOOL_VERSION@">0.22.0</token>
<token name="@TOOL_VERSION@">0.23.1</token>

<xml name="creator">
<creator>
Expand Down
2 changes: 1 addition & 1 deletion tools/matchms/matchms_add_key.xml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
<tool id="matchms_add_key" name="matchms add key" version="@TOOL_VERSION@+galaxy1" profile="21.09">
<tool id="matchms_add_key" name="matchms add key" version="@TOOL_VERSION@+galaxy0" profile="21.09">
<description>Set metadata key in MSP to static value</description>

<macros>
Expand Down
2 changes: 1 addition & 1 deletion tools/matchms/matchms_convert.xml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
<tool id="matchms_convert" name="matchms convert" version="@TOOL_VERSION@+galaxy2" profile="21.05">
<tool id="matchms_convert" name="matchms convert" version="@TOOL_VERSION@+galaxy0" profile="21.05">
<description>convert between mass spectral library formats (.mgf/.msp/.json) using matchms</description>

<macros>
Expand Down
2 changes: 1 addition & 1 deletion tools/matchms/matchms_filtering.xml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
<tool id="matchms_filtering" name="matchms filtering" version="@TOOL_VERSION@+galaxy2" profile="21.09">
<tool id="matchms_filtering" name="matchms filtering" version="@TOOL_VERSION@+galaxy0" profile="21.09">
<description>filter and normalize mass spectrometry data</description>

<macros>
Expand Down
2 changes: 1 addition & 1 deletion tools/matchms/matchms_fingerprint_similarity.xml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
<tool id="matchms_fingerprint_similarity" name="matchms fingerprint similarity" version="@TOOL_VERSION@+galaxy1" profile="21.09">
<tool id="matchms_fingerprint_similarity" name="matchms fingerprint similarity" version="@TOOL_VERSION@+galaxy0" profile="21.09">
<description>calculate similarity between molecular fingerprints calculated from structural spectrum metadata descriptors</description>

<macros>
Expand Down
2 changes: 1 addition & 1 deletion tools/matchms/matchms_formatter.xml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
<tool id="matchms_formatter" name="matchms scores formatter" version="@TOOL_VERSION@+galaxy3" profile="21.09">
<tool id="matchms_formatter" name="matchms scores formatter" version="@TOOL_VERSION@+galaxy0" profile="21.09">
<description>reformat scores object of matchms to long format table</description>

<macros>
Expand Down
2 changes: 1 addition & 1 deletion tools/matchms/matchms_metadata_export.xml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
<tool id="matchms_metadata_export" name="matchms metadata export" version="@TOOL_VERSION@+galaxy2" profile="21.09">
<tool id="matchms_metadata_export" name="matchms metadata export" version="@TOOL_VERSION@+galaxy0" profile="21.09">
<description>extract all metadata from mass spectra file to tabular format</description>
<macros>
<import>macros.xml</import>
Expand Down
2 changes: 1 addition & 1 deletion tools/matchms/matchms_metadata_match.xml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
<tool id="matchms_metadata_match" name="matchms metadata match" version="@TOOL_VERSION@+galaxy2" profile="21.09">
<tool id="matchms_metadata_match" name="matchms metadata match" version="@TOOL_VERSION@+galaxy0" profile="21.09">
<description>matchms metadata match calculation for numeric fields based on tolerance</description>

<macros>
Expand Down
2 changes: 1 addition & 1 deletion tools/matchms/matchms_networking.xml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
<tool id="matchms_networking" name="matchms networking" version="@TOOL_VERSION@+galaxy2" profile="21.09">
<tool id="matchms_networking" name="matchms networking" version="@TOOL_VERSION@+galaxy0" profile="21.09">
<description>create similarity network graph from matchms similarity scores</description>

<macros>
Expand Down
196 changes: 0 additions & 196 deletions tools/matchms/matchms_similarity.xml
View file
Open in desktop

This file was deleted.

136 changes: 0 additions & 136 deletions tools/matchms/matchms_similarity_wrapper.py
View file
Open in desktop

This file was deleted.

2 changes: 1 addition & 1 deletion tools/matchms/matchms_spectral_similarity.xml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
<tool id="matchms_spectral_similarity" name="matchms spectral similarity" version="@TOOL_VERSION@+galaxy2" profile="21.09">
<tool id="matchms_spectral_similarity" name="matchms spectral similarity" version="@TOOL_VERSION@+galaxy0" profile="21.09">
<description>matchms spectral similarity calculation</description>

<macros>
Expand Down
Loading