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mulch-environment / mulch

mulch environment for structural biology
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Need to be able to access existing ModelDataPairs #12

Closed helenginn closed 1 year ago

helenginn commented 1 year ago

I would like to be able to access existing ModelDataPair entries in Collection please!

i.e. a getter function like Collection::modelDataPair(int i) which will give me the i'th ModelDataPair object to play with

virginia4 commented 1 year ago

I have made some changes, added a function in Collection (virtual, implementation in PCollection) called getMDP(int index). It works, but it needs for the _chds vector to be initialise, otherwise _chds is empty. I need to find a way to return the last called vector, if it how we are going to use it?