Structs§
- Chemical
Record - Input for group-contribution models that allows for derivatives.
- CoMTCAMD
- Molecular representation based on group counts, as used in 1-stage CoMT-CAMD.
- Continuous
Variable - Information about bounds and initial values of continuous variables.
- Disjunction
- A combination of different molecule superstructures.
- GcPc
Saft Property Model - The heterosegmented gc-PC-SAFT equation of state.
- Integrated
Design - A full optimization problem consisting of a MolecularRepresentation, a PropertyModel, and a ProcessModel.
- Optimization
Result - The output of a single optimization consisting of the objective, structure variables, and process variables.
- Outer
Approximation - Implementation of outer approximation in Rust.
- PcSaft
Property Model - The homosegmented group contribution method for the PC-SAFT equation of state.
- Super
Molecule - The molecule superstructure representation.
Enums§
- General
Constraint - A generalization over equality and inequality constraints.
Traits§
- Mixed
Integer NonLinear Program - A generic MINLP that can be solved with the OuterApproximation algorithm.
- Molecular
Representation - A generic molecular representation to be used in an IntegratedDesign.
- Process
Model - Generic process model to be used in an IntegratedDesign.
- Property
Model - A generic property model to be used in an IntegratedDesign