Index

_

__init__() (swiftpol.build.polymer_system method) (swiftpol.build.polymer_system_from_PDI method)

B

blockiness_gen() (in module swiftpol.build) build_branched_polymer() (in module swiftpol.crosslink)

build_linear_copolymer() (in module swiftpol.build) build_polymer() (in module swiftpol.build)

C

calculate_box_components() (in module swiftpol.build) calculate_residuals() (swiftpol.build.polymer_system method) (swiftpol.build.polymer_system_from_PDI method) charge_openff_polymer() (in module swiftpol.parameterize)

charge_polymer() (in module swiftpol.parameterize) charge_system() (swiftpol.build.polymer_system method) (swiftpol.build.polymer_system_from_PDI method) crosslink_polymer() (in module swiftpol.crosslink)

E

export_to_csv() (swiftpol.build.polymer_system method) (swiftpol.build.polymer_system_from_PDI method)

G

generate_conformers() (swiftpol.build.polymer_system method) (swiftpol.build.polymer_system_from_PDI method)

generate_polyply_files() (swiftpol.build.polymer_system method) (swiftpol.build.polymer_system_from_PDI method)

I

introduce_stereoisomers() (in module swiftpol.build)

iterative_chainID_update() (in module swiftpol.crosslink)

M

module swiftpol swiftpol.build swiftpol.crosslink swiftpol.parameterize

P

pack_solvated_system() (swiftpol.build.polymer_system method) (swiftpol.build.polymer_system_from_PDI method)

PDI() (in module swiftpol.build) polymer_system (class in swiftpol.build) polymer_system_from_PDI (class in swiftpol.build)

R

replace_halogens_with_hydrogens() (in module swiftpol.crosslink)

S

string (swiftpol.build.polymer_system attribute) (swiftpol.build.polymer_system_from_PDI attribute) swiftpol module swiftpol.build module

swiftpol.crosslink module swiftpol.parameterize module

V

validate_branched_reaction() (in module swiftpol.crosslink)

validate_linear_reaction() (in module swiftpol.crosslink)