Enum ChemAction 

pub enum ChemAction {
    Smiles {
        smiles: String,
    },
    Thermo {
        reaction: String,
        a: f64,
        b: f64,
        c: f64,
    },
    DrugLike {
        smiles: String,
    },
    Pka {
        pka: f64,
        conc_base: f64,
        conc_acid: f64,
    },
}

Variants

Smiles

Fields

smiles: String

Thermo

Fields

reaction: String

a: f64

b: f64

c: f64

DrugLike

Fields

smiles: String

Pka

Fields

pka: f64

conc_base: f64

conc_acid: f64

Trait Implementations

impl Debug for ChemAction

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl FromArgMatches for ChemAction

fn from_arg_matches(__clap_arg_matches: &ArgMatches) -> Result<Self, Error>

Instantiate Self from [ArgMatches], parsing the arguments as needed.

fn from_arg_matches_mut( __clap_arg_matches: &mut ArgMatches, ) -> Result<Self, Error>

Instantiate Self from [ArgMatches], parsing the arguments as needed.

fn update_from_arg_matches( &mut self, __clap_arg_matches: &ArgMatches, ) -> Result<(), Error>

Assign values from ArgMatches to self.

fn update_from_arg_matches_mut<'b>( &mut self, __clap_arg_matches: &mut ArgMatches, ) -> Result<(), Error>

Assign values from ArgMatches to self.

impl Subcommand for ChemAction

fn augment_subcommands<'b>(__clap_app: Command) -> Command

Append to [Command] so it can instantiate Self via [FromArgMatches::from_arg_matches_mut]

fn augment_subcommands_for_update<'b>(__clap_app: Command) -> Command

Append to [Command] so it can instantiate self via [FromArgMatches::update_from_arg_matches_mut]

fn has_subcommand(__clap_name: &str) -> bool

Test whether Self can parse a specific subcommand