swiftpol ======== .. automodule:: swiftpol :members: :undoc-members: :show-inheritance: :no-imported-members: swiftpol.build ============== .. automodule:: swiftpol.build :members: :undoc-members: :show-inheritance: :no-imported-members: :exclude-members: polymer_system, polymer_system_from_PDI swiftpol.build.polymer_system ----------------------------- .. autoclass:: swiftpol.build.polymer_system :members: :special-members: __init__ :exclude-members: build_linear_copolymer, build_polymer, introduce_stereoisomers, calculate_box_components, PDI, blockiness_gen, Interchange, ExactMolWt, OpenEyeToolkitWrapper, RDKitToolkitWrapper, mean, np, oechem, reduce, unit, AllChem, UNIT_CUBE, pack_box swiftpol.build.polymer_system_from_PDI ----------------------------- .. autoclass:: swiftpol.build.polymer_system_from_PDI :members: :special-members: __init__ :exclude-members: build_linear_copolymer, build_polymer, introduce_stereoisomers, calculate_box_components, PDI, blockiness_gen, Interchange, ExactMolWt, OpenEyeToolkitWrapper, RDKitToolkitWrapper, mean, np, oechem, reduce, unit, AllChem, UNIT_CUBE, pack_box swiftpol.parameterize ===================== .. automodule:: swiftpol.parameterize :members: :undoc-members: :show-inheritance: :no-imported-members: