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Added numiter and probemodes parameter #299

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Merged
daurer merged 1 commit into from
Aug 7, 2026
+25 −4
Merged

Added numiter and probemodes parameter #299

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4 changes: 2 additions & 2 deletions ptypy/config/i08-1_raar.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,7 @@ parameter_tree:
engines:
engine0:
name: RAAR
numiter: 100
numiter: <NUMITER>
numiter_contiguous: 10
beta: 0.7
probe_support: null
Expand All @@ -33,7 +33,7 @@ parameter_tree:
name: BlockFull
coherence:
num_object_modes: 1
num_probe_modes: 1
num_probe_modes: <PROBEMODES>
sample:
diversity: null
model: null
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25 changes: 23 additions & 2 deletions ptypy/templates/ptypy-i08-1.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -24,7 +24,7 @@ metadata:
{
"title": "Nr. of processes",
"type": "integer",
"default": 4
"default": 1
}
workflows.diamond.ac.uk/parameter-schema.memory: |
{
Expand All @@ -39,6 +39,19 @@ metadata:
"type": "boolean",
"default": true
}
workflows.diamond.ac.uk/parameter-schema.numiter: |
{
"title": "Nr. of iterations",
"type": "integer",
"default": 100
}
workflows.diamond.ac.uk/parameter-schema.probemodes: |
{
"title": "Nr. of probe modes",
"type": "integer",
"default": 1
}

spec:
entrypoint: ptypy-pipeline
arguments:
Expand All @@ -53,11 +66,15 @@ spec:
- name: outpath
value: "processing/workflows/ptypy"
- name: nprocs
value: "4"
value: "1"
- name: memory
value: 100Gi
- name: usegpu
value: "true"
- name: numiter
value: "100"
- name: probemodes
value: "1"
volumeClaimTemplates:
- metadata:
name: tmpdir
Expand All @@ -84,8 +101,12 @@ spec:
INPUT="{{`{{ workflow.parameters.visitdir }}`}}"/nexus
ID="{{`{{ workflow.parameters.id }}`}}"
mkdir -p $OUTPUT/scan_$ID
NUMITER="{{`{{ workflow.parameters.numiter }}`}}"
PROBEMODES="{{`{{ workflow.parameters.probemodes }}`}}"
echo '{{ .Files.Get "config/i08-1_raar.yaml" | b64enc }}' | base64 -d > $OUTPUT/scan_$ID/ptypy_config.yaml
sed -i "s;<INPATH>;$INPUT/;" $OUTPUT/scan_$ID/ptypy_config.yaml
sed -i "s;<NUMITER>;$NUMITER;" $OUTPUT/scan_$ID/ptypy_config.yaml
sed -i "s;<PROBEMODES>;$PROBEMODES;" $OUTPUT/scan_$ID/ptypy_config.yaml
"{{`{{ workflow.parameters.usegpu }}`}}" && sed -i "s;RAAR;RAAR_cupy;" $OUTPUT/scan_$ID/ptypy_config.yaml
cat $OUTPUT/scan_$ID/ptypy_config.yaml
outputs:
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