Feature 106 #119
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Feature 106 #119
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…gement of options.
the dynamics code. Added tests and source documentation.
…86 using CPU [ci skip]
of the 3 angles. The angles are converted from degrees to radians when held internally. But they should exactly convert back to the degrees value via `ang.to(degrees)` as I think division/multiplication by the same number is reversible. [ci skip]
[ci skip]
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Thanks. I'm only using this in the |
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This pull request fixes issue #106
develinto this branch before issuing this pull request (e.g. by runninggit pull origin devel): [y]Suggested reviewers:
@lohedges
Any additional context of information?
I've skipped CI as you will need to check this with BioSimSpace first to see if this is a workable solution. This returns a list of angle objects, so there is some internal conversion from the raw double values in degrees to double values in radians. Internally in AmberRst7, the data is always stored in raw double values in degrees. The conversion is only happening for the list of angles that we return when calling
boxAngles.As this is a list, it has a different API to a Vector, so it may break existing BioSimSpace code.
[ci skip]