Commit [r19137] Maximize Restore History



new feature: filter "MODCELL=x"
-- incommensurate composite readers Jana2006 and CIF
-- sets base cell to specified subsystem

new feature: MSCIF reader now allowing up to d=10; was d=6

new feature: escape pressed cancels pending measurement

new feature: {xxx}.getProperty("yyy")
-- only for FIRST atom
-- returns getProperty("atomInfo.yyy", {xxx})[1] (not xxx.yyy.all)

new feature: unitcell {atomset}
-- unit cell based on first atom of atom set.
-- canceled by any unitcell {none}
or other unitcell command other than on/off and width

new feature: altloc set for msCIF _atom_site_subsystem_code
-- sets % and also configuration
-- prevents covalent bonding between subsystems

new feature: select ON ; select OFF
-- same as selectionHalos ON/OFF
-- deprecates selectionHalos command

new feature: atomSet1.distance.min(atomSet2, TRUE)
new feature: atomSet1.distance.min(point, TRUE)
new feature: atomSet1.distance.max(atomSet2, TRUE)
new feature: atomSet1.distance.max(point, TRUE)
-- returns single closest/furthest atom in atomSet1 from point or atomSet2

bug fix: incommensurate composite structures not packed into unit cell properly
bug fix: incommensurate composite structures - wrong unit cell for d > 1
bug fix: if load "" fails, last file name is lost
bug fix: print a (operator) b not processing string parameter B consistently across operators
bug fix: composite structures reading for JANA2006 M50/M40 files
bug fix: capture time slightly off; needs 50 ms addition. This may vary with rendering speeds.
bug fix: CIF reader goes into molecular mode even if geom_bond block is all "? ? ? ? ?"
bug fix: n-d incommensurate modulated composite structures (preliminary testing)
bug fix: getProperty atomInfo broken for modulated atoms
bug fix: x.distance.min(y) broken

code: generic javajs.util.Matrix class added based on Jama code for inversion using L/U decomposition

hansonr 2013-12-29

changed /trunk/Jmol/appletweb/
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