Enum PackError 

pub enum PackError {
    ConstraintsFailed(String),
    MaxIterations,
    NoTargets,
    EmptyMolecule(usize),
    InvalidPBCBox {
        min: [F; 3],
        max: [F; 3],
    },
    ConflictingPeriodicBoxes {
        first: ([F; 3], [F; 3], [bool; 3]),
        second: ([F; 3], [F; 3], [bool; 3]),
    },
}

Variants

ConstraintsFailed(String)

Molecules could not satisfy constraints even without distance tolerances.

MaxIterations

Maximum iterations reached without convergence.

NoTargets

No molecules were provided.

EmptyMolecule(usize)

A molecule has no atoms.

InvalidPBCBox

A restraint declared a periodic box whose max - min is non-positive on at least one axis.

Fields

min: [F; 3]

max: [F; 3]

ConflictingPeriodicBoxes

Two or more restraints declared periodic boxes with different bounds or different per-axis periodicity flags. Only one periodic box is allowed per packing run.

Fields

first: ([F; 3], [F; 3], [bool; 3])

second: ([F; 3], [F; 3], [bool; 3])

Trait Implementations

impl Clone for PackError

fn clone(&self) -> PackError

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for PackError

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

Formats the value using the given formatter.

impl Display for PackError

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

Formats the value using the given formatter.

impl Error for PackError

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<PackError> for ScriptError

fn from(err: PackError) -> Self

Converts to this type from the input type.