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Release 1.3.0 - #34
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Eight pull requests since 1.2.0. A minor release: new API and new behaviour on bad input, but no change to any value SCALCS computes from a valid mechanism. #26/#27 Mechanism can be indexed by state name (state_names, state_index, rates_by_edge, rate, permutation) and reports whether its rates satisfy microscopic reversibility (cycle_ratios, reversibility_error). transition_probability and transition_frequency, defined three times between scalcslib and scsim, now live once in qmatlib; transition_frequency takes the occupancies as an optional argument, and an integer Q is no longer divided integer-wise. #28 Mechanism.layout keeps the drawing a .mec file stores. #29 scalcs.schemes draws a mechanism as a reaction scheme in the style of Colquhoun & Lape (2012). New extra: scalcs[plot] (matplotlib); the gui extra now declares matplotlib, which it already used. #30 .mec state names padded with NULs or left blank. #31 Authors: Remigijus Lape, remis.lp@gmail.com. #32 scalcs is a regular package; scalcs.__version__ exists. #33 Every way the .mec reader failed - a file that is not a .mec file, an index pointing at no record (which hung), self-contradictory records, unnamed states - now loads or raises ValueError naming the file, record and problem. Records that loaded before load identically. The unused hand-over to dcio.formats.mec is removed. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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Eight pull requests since 1.2.0. A minor release: new API and new behaviour on bad input, but no change to any value SCALCS computes from a valid mechanism.
#26/#27 Mechanism can be indexed by state name (state_names, state_index,
rates_by_edge, rate, permutation) and reports whether its rates
satisfy microscopic reversibility (cycle_ratios,
reversibility_error). transition_probability and
transition_frequency, defined three times between scalcslib and
scsim, now live once in qmatlib; transition_frequency takes the
occupancies as an optional argument, and an integer Q is no longer
divided integer-wise.
#28 Mechanism.layout keeps the drawing a .mec file stores.
#29 scalcs.schemes draws a mechanism as a reaction scheme in the style
of Colquhoun & Lape (2012). New extra: scalcs[plot] (matplotlib);
the gui extra now declares matplotlib, which it already used.
#30 .mec state names padded with NULs or left blank.
#31 Authors: Remigijus Lape, remis.lp@gmail.com.
#32 scalcs is a regular package; scalcs.version exists.
#33 Every way the .mec reader failed - a file that is not a .mec file,
an index pointing at no record (which hung), self-contradictory
records, unnamed states - now loads or raises ValueError naming
the file, record and problem. Records that loaded before load
identically. The unused hand-over to dcio.formats.mec is removed.