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90 lines
2.9 KiB
Groff
90 lines
2.9 KiB
Groff
.TH "ck2yaml" 1 "6 Feb 2021" "ck2yaml" \" -*- nroff -*-
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.ad l
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.nh
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.SH NAME
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ck2yaml \- convert Chemkin-II-format mechanisms to Cantera YAML input files
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.SH SYNOPSIS
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.B ck2yaml
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[--input=<filename>]
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[--thermo=<filename>]
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[--transport=<filename>]
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[--surface=<filename>]
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[--name=<name>]
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[--extra=<filename>]
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[--output=<filename>]
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[--permissive]
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[--quiet]
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[--no-validate]
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[-d | --debug]
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.SH DESCRIPTION
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.I ck2yaml
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converts a Chemkin-II-format reaction mechanism file to Cantera input
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format. The resulting Cantera input file contains phase definitions,
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species definitions, and reaction definitions, depending on the inputs
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provided. The Cantera-format mechanism is written to the file named by
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\fIoutput\fR.
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The parameters are as follows:
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.TP
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.B --input=\fIfilename\fR
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Chemkin-II gas-phase reaction mechanism file to be converted. This file
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contains the declarations of the elements and species, as
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well as the reactions (if any). It may also contain the thermodynamic
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and transport data.
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.TP
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.B --thermo=\fIfilename\fR
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Thermodynamic property database. If the input file does not have a
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THERMO section, or does not have entries for one or more species, this
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file will be searched for the required thermo data. A YAML file
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containing only species definitions (which can be referenced from
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phase definitions in other input files) can be created by specifying
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a \fIthermo\fR file with no \fIinput\fR file.
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.TP
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.B --transport=\fIfilename\fR
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Transport property database. If this file name is supplied, transport
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property parameters will be taken from this file and included in the
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output Cantera-format file. If this parameter is omitted, and no
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TRANSPORT section was included in the main input file, no transport
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property parameters will be included in the output.
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.TP
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.B --surface=\fIfilename\fR
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Surface phase definition. If this file name is supplied, an additional
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phase entry for a surface phase will be read from this file, and a
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\fIreactions\fR section will be created for any surface reactions
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defined in this file.
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.TP
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.B --name=\fIname\fR
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Optional identification string, used to set the \fIname\fR of the
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\fIideal-gas\fR phase in the Cantera-format output. If this parameter
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is omitted, it will be set to \fBgas\fR.
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.TP
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.B --extra=\fIfilename\fR
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This option takes a YAML file as input. It can be used to add to the
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file description, or to define custom fields that are included in the
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YAML output.
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.TP
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.B --output=\fIfilename\fR
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If the output file name is not given, an output file will be created
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with the same name as the input file, with the extension changed to
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\fB.yaml\fR.
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.TP
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.B --permissive
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Allows certain recoverable parsing errors (e.g. duplicate transport
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data) to be ignored.
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.TP
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.B --quiet
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Disables all non-error output, for use in batch processing.
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.TP
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.B --no-validate
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Disables validation of the converted mechanism by importing it from
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the Cantera Python module.
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.TP
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.B -d | --debug
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Enables additional debugging output.
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.SH EXAMPLE
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ck2yaml --input=chem.inp --thermo=therm.dat --transport=tran.dat
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