Complete move of predict_top_k_ms2deepscores

niekdejonge · niekdejonge · commit 449cfc47e173 · 2026-03-24T09:46:16.000+01:00
diff --git a/ms2query/ms2query_development/reference_methods/MS2DeepScoresForTopInChikeys.py b/ms2query/ms2query_development/reference_methods/MS2DeepScoresForTopInChikeys.py
@@ -3,7 +3,7 @@
 from tqdm import tqdm
 from ms2query.ms2query_development.AnnotatedSpectrumSet import AnnotatedSpectrumSet
 from ms2query.ms2query_development.Fingerprints import Fingerprints
-from ms2query.ms2query_development.predict_top_k_ms2deepscore import (
+from ms2query.ms2query_development.reference_methods.predict_top_k_ms2deepscore import (
     select_inchikeys_with_highest_ms2deepscore,
 )
 from ms2query.ms2query_development.TopKTanimotoScores import TopKTanimotoScores
diff --git a/tests/test_ms2query_development/test_predict_top_ms2deepscores.py b/tests/test_ms2query_development/test_predict_top_ms2deepscores.py
@@ -1,7 +1,7 @@
 import numpy as np
 import pytest
 from ms2query.ms2query_development.AnnotatedSpectrumSet import AnnotatedSpectrumSet
-from ms2query.ms2query_development.predict_top_k_ms2deepscore import (
+from ms2query.ms2query_development.reference_methods.predict_top_k_ms2deepscore import (
     predict_top_k_ms2deepscores,
     select_inchikeys_with_highest_ms2deepscore,
 )

Original file line number	Diff line number	Diff line change
`@@ -3,7 +3,7 @@`
`3`	`3`	`from tqdm import tqdm`
`4`	`4`	`from ms2query.ms2query_development.AnnotatedSpectrumSet import AnnotatedSpectrumSet`
`5`	`5`	`from ms2query.ms2query_development.Fingerprints import Fingerprints`
`6`		`-from ms2query.ms2query_development.predict_top_k_ms2deepscore import (`
	`6`	`+from ms2query.ms2query_development.reference_methods.predict_top_k_ms2deepscore import (`
`7`	`7`	`select_inchikeys_with_highest_ms2deepscore,`
`8`	`8`	`)`
`9`	`9`	`from ms2query.ms2query_development.TopKTanimotoScores import TopKTanimotoScores`
Original file line number	Diff line number	Diff line change
`@@ -1,7 +1,7 @@`
`1`	`1`	`import numpy as np`
`2`	`2`	`import pytest`
`3`	`3`	`from ms2query.ms2query_development.AnnotatedSpectrumSet import AnnotatedSpectrumSet`
`4`		`-from ms2query.ms2query_development.predict_top_k_ms2deepscore import (`
	`4`	`+from ms2query.ms2query_development.reference_methods.predict_top_k_ms2deepscore import (`
`5`	`5`	`predict_top_k_ms2deepscores,`
`6`	`6`	`select_inchikeys_with_highest_ms2deepscore,`
`7`	`7`	`)`