Code

Feature bonds#121

Code

Merged

chryswoods merged 10 commits intodevelOpenBioSim/sire:develfrom feature_bondsOpenBioSim/sire:feature_bondsCopy head branch name to clipboardOct 30, 2023

+1,197-248

Commits

Commits on Oct 23, 2023

• Working on Options objects which centralise the processing and management of options.

  chryswoods

  committed
  adcea14

Commits on Oct 24, 2023

• Cleaned up the Option (and derived) classes and integrated them into

  Show description for 26d85a4
  chryswoods

  committed
  26d85a4

• Updated the changelog for 2023.4.1 and added a changelog for this PR

  chryswoods

  committed
  2274bb7

Commits on Oct 25, 2023

• Reduced the precision of the test as this is now too high for MacOS X86 using CPU

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  chryswoods

  committed
  2847ce8

• Fixed by having AmberRst7.getBoxAngles return a QVector<Angle>

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  chryswoods

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  a80a051

• Changelog update

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  chryswoods

  committed
  5ef30b2

• Added an option to rotate velocities

  chryswoods

  committed
  59433ec

• Added a new sire.maths.rotate function to rotate vectors. Used this as

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  chryswoods

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  f5794d1

• Updated the URL for the blogpost

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  chryswoods

  committed
  3f23cdc

Commits on Oct 27, 2023

• Extended the .atom(s), .residue(s), .bond(s) and all other

  Show description for 599b2eb
  chryswoods

  committed
  599b2eb