docs/cli.rst
Command line interface
----------------------
The command line interface provides five functions to easily manipulate `BcForms`-encoded descriptions of complexes.
* **Get help with the `BcForms` command line interface.** The following commands return inline help information about the command line interface::
bcforms
bcforms -h
bcforms --help
* **Validate a `BcForms`-encoded description of a form of a complex.** The following command can be used to verify if description of a complex is syntactically and semantically valid. The command line interface will print any errors to the standard error::
bcforms validate <bcform>
bcforms validate '2 * a + 3 * b'
# Form is valid
* **Calculate the formula of a complex.** The following command can be used to calculate the formula of a complex::
bcforms get-formula --help
bcforms get-formula <bcform> <dictionary of formulae of subunits>
# Calculate the formula of a complex
bcforms get-formula '2 * a + 3 * b' '{a: CHO, b: C2H2O2}'
# C8H8O8
* **Calculate the charge of a complex.** The following command can be used to calculate the charge of a complex::
bcforms get-charge --help
bcforms get-charge <bcform> <dictionary of charges of subunits>
# Calculate the charge of a complex
bcforms get-charge '2 * a + 3 * b' '{a: 1, b: 2}'
# 8
* **Calculate the molecular weight of a complex.** The following command can be used to calculate the molecular weight of a complex::
bcforms get-molwt --help
bcforms get-molwt <bcform> <dictionary of molecular weights of subunits>
# Calculate the molecular weight of a complex
bcforms get-molwt '2 * a + 3 * b' '{a: 1, b: 2}'
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