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Revisions №58204

branch: master 「№58204」
Commited by: Rhiju Das
GitHub commit link: 「ddbdc3c921c8f15a」 「№803」
Difference from previous tested commit:  code diff
Commit date: 2015-10-03 00:35:49

Merge pull request #803 from RosettaCommons/rhiju/remove_placeholder_residue_types *Removing last exponential blow up in ResidueTypeSet* Reduces setup time for FA_STANDARD residue type set from 1.1 seconds to 0.40 seconds on my machine. Allows activation of all available patches (e.g., ones currently under command-line control; see https://github.com/RosettaCommons/main/pull/756) and new 'metapatches' (see https://github.com/RosettaCommons/main/pull/844) without blowup of setup time & memory. All Rosetta modes now compatible with refactored ResidueTypeSet and accessor function, including adducts; and lots of code cleanup. Only tests that change are integration tests: + _fiber_diffraction_fad_, _fold_and_dock_ (cosmetic, tracer debug now registers instantiation of D-AA residue types) + _inverse_rotamer_remodel_ (broken before at SequenceMapping) + _mm_params_ now loops through D-AA residue types, though does not actually check mm parameters for those-- could do so. + _dna_interface_design_ changes at late stage; tracked down to a difference in a random number in a SmallMin move -- all the 'physics' of the simulation, including number of adduct rotamers used in design, appears preserved up to that point and later -- may be a sign of a memory leak. + _number_of_residuetypes_ now does not report on total number of residue types, which is no longer computed, but on the components of ResidueTypeSet, e.g.: ``` apps.pilot.doug.number_of_residuetypes: The FA_STANDARD ResidueTypeSet contains 364 base ResidueTypes, 71 Patches, and 0 custom ResidueTypes ``` instead of ``` apps.pilot.doug.number_of_residuetypes: The FA_STANDARD ResidueTypeSet contains 42632 ResidueTypes ```

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