Molecule Polymer Linear (continuous) ===================================== Arguments: * `nmolecule` (int) - Number of molecules in simulation * `moleculeX` (json object) - Information about `moleculeX` where `X` ranges from 0 to `nmolecule-1`. In each `moleculeX` object the following must be specified: * `type` (string) - Type of molecule. Here `PolymerLinear` * `label` (string) - label for this molecule, defaults to `molX` * `chain_type` (string) - Type of chain statistics. Either `continuous` (as documented here) or `discrete`. * `alpha` (float) - Relative length of molecule. :math:`\alpha = N / N_{ref}` * `ds` (float) - Contour step size * `volume_frac` (float) - Volume fraction of `moleculeX` in the simulation. Must be 0-1. * `ncopies` (float) - number of copies of `moleculeX` in the simulation. Note that either `volume_frac` or `ncopies` can be specified, not both. * `nblocks` (int) - Number of blocks in polymer * `block_species` (list string) - the species of each block. Length is `nblocks`. Must corresponds to a `label` entry in :ref:`Species`. * `block_fractions` (list float) - fractional length of each block. Length is `nblocks`, must sum to 1. Example (python):: fts.add_molecule(alpha=1.0,ds=0.01,nblocks=2,block_fractions=[0.5, 0.5],block_species=['A', 'B'],type='PolymerLinear',chain_type='continuous',volume_frac=1.0) Example (json):: "molecules": { "molecule0": { "alpha": 1.0, "ds": 0.01, "nblocks": 2, "block_fractions": [0.5, 0.5], "block_species": ["A","B"], "type": "PolymerLinear", "chain_type": "continuous", "volume_frac": 1.0 }, "nmolecule": 1 }, Molecule Polymer Continuous Formalism -------------------------------------- TODO should consolidate. For now, see :ref:`Continuous vs Discrete Chains`.