pub struct BlackBoxModel { /* private fields */ }Implementations§
Source§impl BlackBoxModel
impl BlackBoxModel
Sourcepub fn render_input(&self, mol: &Molecule) -> Result<String>
pub fn render_input(&self, mol: &Molecule) -> Result<String>
Render mol to input string using this template.
Sourcepub fn render_input_bunch(&self, mols: &[Molecule]) -> Result<String>
pub fn render_input_bunch(&self, mols: &[Molecule]) -> Result<String>
Render input using template in bunch mode.
Source§impl BlackBoxModel
impl BlackBoxModel
Sourcepub fn from_dir<P: AsRef<Path>>(dir: P) -> Result<Self>
pub fn from_dir<P: AsRef<Path>>(dir: P) -> Result<Self>
Construct BlackBoxModel model under directory context.
Sourcepub fn keep_scratch_files(self)
pub fn keep_scratch_files(self)
keep scratch files for user inspection of failure.
Sourcepub fn number_of_evaluations(&self) -> usize
pub fn number_of_evaluations(&self) -> usize
Return the number of potentail evaluations
Trait Implementations§
Source§impl ChemicalModel for BlackBoxModel
impl ChemicalModel for BlackBoxModel
Auto Trait Implementations§
impl Freeze for BlackBoxModel
impl RefUnwindSafe for BlackBoxModel
impl Send for BlackBoxModel
impl Sync for BlackBoxModel
impl Unpin for BlackBoxModel
impl UnwindSafe for BlackBoxModel
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Source§impl<T> BorrowMut<T> for Twhere
T: ?Sized,
impl<T> BorrowMut<T> for Twhere
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Converts
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fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
Converts
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Source§impl<SS, SP> SupersetOf<SS> for SPwhere
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The inverse inclusion map: attempts to construct
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fn from_subset(element: &SS) -> SP
The inclusion map: converts
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