New Features
MultiState
capability, which enables a singleMonomer
site to be specified with multiple states (documentation) (#410)ScipyOdeSimulator
multiprocessing capability, usingn_processors
argument (documentation) (#395)- Multi-GPU simulations and chunking support (split large simulation sets into GPU-sized blocks) for
CupSodaSimulator
(#409) - Sensitivity analysis class can now work for model parameter sweeps, in addition to initial conditions (documentation) (#426)
- Support for fixed concentration species (#364)
- Initial condition and parameter sets can now be supplied to Simulator instances as Pandas DataFrames (#416)
- Drug binding macro
pysb.macros.drug_binding()
(documentation) (#387) - Support
BngSimulator
early stopping usingstop_if
kwarg (example:sim.run(stop_if='ObsA>9')
) (#407) - BioNetGen importer improvements, including preserving parameter depdendencies in expressions, the
MoveConnected
keyword, and Observables' species compartments (#406)
Improvements
ScipyOdeSimulator
is now faster when using Cython due to customized compiler directives (#403)- When model components experience a validation error on creation, they're no longer added to the model by the
SelfExporter
(#431) - Use the system
PATH
variable to help find external tools like BioNetGen or Kappa (#389) - SBML Exporter: preserve parameter dependency in initial conditions (#417) and specify initial concentrations for all species (#420)
- BioNetGen importer now allows relative paths (#432)
- StochKit log file contents are now included in error messages (#429)
- Clearer error messages when Cython is non-functional on Windows (#402)
Bug fixes
- Corrections to the PySB tutorial (#422)
- Fix number of simulations calculation for NFsim (#445)
- Fix cupSODA when using models with non-alphanumeric characters (#404)
- Fix Exception when calling
expand_obs()
on observables which match no species (#418) - Fix for model name being changed in unit test (#399)
- Fix
Model.update_initial_condition_pattern
(#446) - Minor packaging fixes (#396, #411, #433)
- Minor code tidy-ups (#405, #436)
- Documentation build fixes (#424, #444)
Deprecations
- ScipyOdeSimulator's theano backend (#428)