Enum PolySimError 

pub enum PolySimError {
    Parse(ParseError),
    BuildStrategy(String),
    NoStochasticObject,
    RepeatUnitCount {
        architecture: &'static str,
        got: usize,
        need_min: usize,
    },
    InvalidBlockRatios {
        sum: f64,
    },
    InvalidFractions {
        sum: f64,
    },
    EmptyEnsemble,
    RingNumberOverflow {
        max_ring: u32,
        max_supported: u32,
    },
}

All errors that can be produced by polysim operations.

Variants

Parse(ParseError)

A BigSMILES string could not be parsed.

BuildStrategy(String)

The BuildStrategy is invalid or not yet supported.

NoStochasticObject

The BigSMILES contains no stochastic object ({...}), so no repeat units are available for chain generation.

RepeatUnitCount

The stochastic object contains the wrong number of repeat units for the requested architecture.

Fields

architecture: &'static str

got: usize

need_min: usize

InvalidBlockRatios

The block ratios supplied to a block copolymer ensemble do not sum to 1.0.

Fields

sum: f64

InvalidFractions

The weight fractions supplied to a copolymer builder do not sum to 1.0.

Fields

sum: f64

EmptyEnsemble

An ensemble was created with zero chains.

RingNumberOverflow

A single repeat unit already uses more than 99 distinct ring-closure numbers, which exceeds the SMILES specification.

Fields

max_ring: u32

max_supported: u32

Trait Implementations

impl Debug for PolySimError

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

Formats the value using the given formatter.

impl Display for PolySimError

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

Formats the value using the given formatter.

impl Error for PolySimError

fn source(&self) -> Option<&(dyn Error + 'static)>

Returns the lower-level source of this error, if any.

fn description(&self) -> &str

👎Deprecated since 1.42.0: use the Display impl or to_string()

fn cause(&self) -> Option<&dyn Error>

👎Deprecated since 1.33.0: replaced by Error::source, which can support downcasting

fn provide<'a>(&'a self, request: &mut Request<'a>)

🔬This is a nightly-only experimental API. (error_generic_member_access)

Provides type-based access to context intended for error reports.

impl From<ParseError> for PolySimError

fn from(source: ParseError) -> Self

Converts to this type from the input type.