convert

#!/bin/sh -e

MECH=$1
if [ ! -d "$MECH" ]; then
    echo "Please provide mechanism name"
    exit 1
fi
. ./setpaths $MECH
. ./clean $MECH
mkdir $DIR_CANTERA $DIR_PYJAC

# echo -n "Running chemkinToFoam..."
# # echo "creating temporary $CHEMKIN_THERMO.foam file with first line listing species"
# chemkinToFoam -newFormat $CHEMKIN_CHEM $CHEMKIN_THERMO $CHEMKINTOFOAM_TRANSPORT $OPENFOAM_CHEM $OPENFOAM_THERMO
# echo "Done"

if [ -f "$CANTERA_ORIG_CHEM" ]; then
echo "[$0] Found original .cti file! Skipping ck2cti run..."
cp $CANTERA_ORIG_CHEM $CANTERA_CHEM
else
echo "[$0] Running ck2cti..."
    # check if file exists, because for some mechs .inp has all the data
    if [ -f "$CHEMKIN_THERMO" ]; then
        THERMO_OPTION=--thermo=$CHEMKIN_THERMO
    fi
    if [ -f "$CHEMKIN_TRANSPORT" ]; then
        TRANSPORT_OPTION=--transport=$CHEMKIN_TRANSPORT
    fi
    python -m cantera.ck2cti --input=$CHEMKIN_CHEM $THERMO_OPTION $TRANSPORT_OPTION -d --output=$CANTERA_CHEM --permissive | tee $MECH/log.ck2cti
echo "[$0] Done"
fi

echo "[$0] Running cti2yaml..."
python -m cantera.cti2yaml $CANTERA_CHEM
echo "[$0] Done"

echo "[$0] Running ct2foam..."
    ct2foam --input $CANTERA_CHEM --output $DIR_PYJAC --Tmid 1000.0 --plot | tee $MECH/log.ct2foam
echo "[$0] Done"

echo "[$0] Running pyjac2foam..."
    python -m pyjac --lang c --last_species N2 --input $CANTERA_CHEM | tee $MECH/log.pyjac
    pyjac2foam.sh -m $CANTERA_CHEM -i out -c | tee $MECH/log.pyjac2foam
    mv foam $DIR_PYJAC/
    mv lib $DIR_PYJAC/
    mv out $DIR_PYJAC/
echo "[$0] Done"

echo "All done."