S

sire

Settings | Report Duplicate

1

I Use This!

Activity Not Available

Commits : Listings

Analyzed about 1 year ago. based on code collected over 4 years ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Aug 25, 2020 — Sep 24, 2020 Showing page 23 of 97 Search / Filter on:
Allowed any view to be given a GeneralUnit as a property. Added in code to support automatic interconversion of the unit property into the value (so that you can continue to do maths with that property)	Christopher Woods	More...				over 2 years ago
Added a GeneralUnitProperty so that we can store any set of units as a property in a molecule (or any sub view)	Christopher Woods	More...				over 2 years ago
I've added ViewPropertyProperty classes for all the view types. I have also copied the list-type interface from AtomProperty to all of the other ViewProperty types. I have confirmed that this works according to what is described in the tutorial.	Christopher Woods	More...				over 2 years ago
Added a `PropertyPtr` type for ResProperty, meaning that we can now store and extract any type that can be wrapped via the `sire.base.wrap` function as a residue property.	Christopher Woods	More...				over 2 years ago
Cleaned up the tutorial, fixing typos, bugs etc.	Christopher Woods	More...				over 2 years ago
I've finished the chapter on using Cursor and Cursors objects. It provides a very nice and clean property editing API (plus an API to rename / renumber atoms etc, not that this is described yet in the tutorial).	Christopher Woods	More...				over 2 years ago
Added a Cursors object to hold a list of Cursor objects, to make multiple updates and committing easier. Added a 'apply' function that mirrors what is available for the molecule views.	Christopher Woods	More...				over 2 years ago
Fixed circular import, unit zero initialisation, and some atom property wrapping issues	Christopher Woods	More...				over 2 years ago
Add missing ;	finlayclark	More...				over 2 years ago
Account for sin(theta) term in standardstatecorrection	finlayclark	More...				over 2 years ago
Added a description of the Cursor to the tutorial, and cleaning up its API	Christopher Woods	More...				over 2 years ago
Cleaned up the GeneralUnit class so that it understands both zero and dimensionless values. This lets it cope better with such values.	Christopher Woods	More...				over 2 years ago
Correct expression for flat-bottomed restraint	finlayclark	More...				over 2 years ago
Finished the page on atom properties. Added an `apply` function which is really useful.	Christopher Woods	More...				over 2 years ago
Working on the properties section of the tutorial	Christopher Woods	More...				over 2 years ago
Fixed crashes caused by the change in behaviour of AtomCoords/AtomProperty count and size functions	Christopher Woods	More...				over 2 years ago
Added functions that make the AtomProperties behave more like standard containers. This makes it much easier to work with properties, e.g.	Christopher Woods	More...				over 2 years ago
Confirmed that the tutorial is all working :-)	Christopher Woods	More...				over 2 years ago
Added in docs about the `protein` search term.	Christopher Woods	More...				over 2 years ago
Working through the tutorial, making sure that everything works and fixing typos etc.	Christopher Woods	More...				over 2 years ago
Merge branch 'devel' of https://github.com/michellab/Sire into feat_2023_0	Christopher Woods	More...				over 2 years ago
I've added in a wrapper around the new Sire Bond class so that this can be properly handled as part of the return from a search query	Christopher Woods	More...				over 2 years ago
No - this was needed to fix the test in the sandpit. Also removed a forgotten print debug	Christopher Woods	More...				over 2 years ago
Fixed the `.molecules()` function to work when only a single molecule is returned. Added in the `.bonds()` function to show how to iterate over bonds (although we do need to add a BSS.Bond object).	Christopher Woods	More...				over 2 years ago
Added '.atoms()', '.residues()`, `.molecules()` etc functions that allow the user to be explicit about what they are iterating over when iterating over a search result	Christopher Woods	More...				over 2 years ago
Merge branch 'michellab:devel' into devel	Zhiyi Wu	More...				over 2 years ago
Improved the performance of squash() and unsquash() (#20)	Miroslav Suruzhon	More...				over 2 years ago
Replace pickled objects used in tests.	Lester Hedges	More...				over 2 years ago
Update installation instructions.	Lester Hedges	More...				over 2 years ago
Add note about building BioSimSpace on top of Sire. [ci skip]	Lester Hedges	More...				over 2 years ago

←
1
2
…
19
20
21
22
23
24
25
26
27
…
96
97
→