Loading Incident_beam_MCstas/nomad_run_NDIP 0 → 100644 +58 −0 Original line number Diff line number Diff line # Create a Galaxy Tool XML for running NOMAD_NDIP.instr using a manual McStas source file. galaxy_tool_xml = """<tool id="nomad_NDIP_mcstas" name="NOMAD NDIP Instrument" version="1.0.0"> <description>Run McStas simulation using NOMAD_NDIP instrument</description> <creator> <person name="Fahima Islam"/> <organization url="https://www.ornl.gov/" name="ORNL"/> </creator> <requirements> <container type="docker">mccode/mcstas:latest</container> </requirements> <command detect_errors="exit_code"><![CDATA[ ln -s $instrument_code /inputs/instrument.instr && ln -s $spectrum_file /inputs/spectrum.dat && mcstas -o NOMAD_NDIP instrument.instr && ./NOMAD_NDIP.out \\ --s3l=$s3l --s3r=$s3r --s3t=$s3t --s3b=$s3b \\ --s4l=$s4l --s4r=$s4r --s4t=$s4t --s4b=$s4b \\ --ncount=$ncount --dir=outputs && (mv outputs/*.mcpl.gz $out_mcpl || true) ]]></command> <inputs> <param name="instrument_code" type="data" format="txt" label="Instrument Source (.instr)" optional="false"/> <param name="spectrum_file" type="data" format="txt" label="Source Spectrum (.dat)" optional="false"/> <param name="s3l" type="float" value="1.1" label="s3 left"/> <param name="s3r" type="float" value="1.1" label="s3 right"/> <param name="s3t" type="float" value="1.1" label="s3 top"/> <param name="s3b" type="float" value="1.1" label="s3 bottom"/> <param name="s4l" type="float" value="1.1" label="s4 left"/> <param name="s4r" type="float" value="1.1" label="s4 right"/> <param name="s4t" type="float" value="1.1" label="s4 top"/> <param name="s4b" type="float" value="1.1" label="s4 bottom"/> <param name="ncount" type="text" value="1e7" label="Number of particles"/> </inputs> <outputs> <data format="gz" name="out_mcpl" label="MCPL Output File"/> </outputs> <help><![CDATA[ This tool runs a McStas simulation using the NOMAD_NDIP instrument. Required Inputs: - Instrument file (.instr) - Source spectrum file (.dat) You can control the slit parameters s3 and s4, as well as number of neutrons. Output: - MCPL file (if generated by instrument) ]]></help> </tool> """ Loading
Incident_beam_MCstas/nomad_run_NDIP 0 → 100644 +58 −0 Original line number Diff line number Diff line # Create a Galaxy Tool XML for running NOMAD_NDIP.instr using a manual McStas source file. galaxy_tool_xml = """<tool id="nomad_NDIP_mcstas" name="NOMAD NDIP Instrument" version="1.0.0"> <description>Run McStas simulation using NOMAD_NDIP instrument</description> <creator> <person name="Fahima Islam"/> <organization url="https://www.ornl.gov/" name="ORNL"/> </creator> <requirements> <container type="docker">mccode/mcstas:latest</container> </requirements> <command detect_errors="exit_code"><![CDATA[ ln -s $instrument_code /inputs/instrument.instr && ln -s $spectrum_file /inputs/spectrum.dat && mcstas -o NOMAD_NDIP instrument.instr && ./NOMAD_NDIP.out \\ --s3l=$s3l --s3r=$s3r --s3t=$s3t --s3b=$s3b \\ --s4l=$s4l --s4r=$s4r --s4t=$s4t --s4b=$s4b \\ --ncount=$ncount --dir=outputs && (mv outputs/*.mcpl.gz $out_mcpl || true) ]]></command> <inputs> <param name="instrument_code" type="data" format="txt" label="Instrument Source (.instr)" optional="false"/> <param name="spectrum_file" type="data" format="txt" label="Source Spectrum (.dat)" optional="false"/> <param name="s3l" type="float" value="1.1" label="s3 left"/> <param name="s3r" type="float" value="1.1" label="s3 right"/> <param name="s3t" type="float" value="1.1" label="s3 top"/> <param name="s3b" type="float" value="1.1" label="s3 bottom"/> <param name="s4l" type="float" value="1.1" label="s4 left"/> <param name="s4r" type="float" value="1.1" label="s4 right"/> <param name="s4t" type="float" value="1.1" label="s4 top"/> <param name="s4b" type="float" value="1.1" label="s4 bottom"/> <param name="ncount" type="text" value="1e7" label="Number of particles"/> </inputs> <outputs> <data format="gz" name="out_mcpl" label="MCPL Output File"/> </outputs> <help><![CDATA[ This tool runs a McStas simulation using the NOMAD_NDIP instrument. Required Inputs: - Instrument file (.instr) - Source spectrum file (.dat) You can control the slit parameters s3 and s4, as well as number of neutrons. Output: - MCPL file (if generated by instrument) ]]></help> </tool> """