Skip to content
New issue

Have a question about this project? # for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “#”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? # to your account

Python_functional_parameters #48

Merged
merged 934 commits into from
Apr 3, 2023
Merged

Conversation

CunchengZhu
Copy link
Collaborator

@CunchengZhu CunchengZhu commented Sep 9, 2022

Description

Offload some complex parameter input to python by binding to std::function

Todos

Notable points that this PR has either accomplished or will accomplish.

  • Prescribe protein density during simulation
  • Return the center (now called notableVertex) as a surfacePoint a boolean Eigen vector with length of the number of vertices. Effectively constrain the type of notable element to be vertex only.
  • Provide utility functions to pinpoint the notableVertex: 1) getVertexClosestToEmbeddedCoordinate() based on Euclidean distance, and 2) getVertexFurthestFromBoundary() based on geodesic distance.
  • Save the notableVertex in trajectory both in .ply and .nc and read in the if simulation continuation with NetCDF.
  • Use 1) time, 2) parameter form and 3) whether receive center in System initializer to decide wether prescribe in init(). Actually solely on whether receive center, if not receive center and no form, throw message and set default, when closed, set index = 0, when boundary, set center of boundary loop Geometry() takes in an explicit std::size_t argument to define the initial notableVertex, which defaults to the vertex with index 0. Expect user to use the utility functions described above to find the index of a special geometric vertex.
  • rename point to notatioin element or center notableVertex
  • write a update prescription function in System and store frequency of update (number of iteration) in parameter struct
  • clean up Parameters.tension and Parameters.osmotic in conjugateGradient
  • support multiple notable vertex and its corresponding geodesic distance

Status

  • Ready to go

@ctlee ctlee reopened this Mar 31, 2023
ctlee added 5 commits April 3, 2023 10:46
This reverts commit 200df56.
Signed-off-by: Christopher T. Lee <ctlee@ucsd.edu>
Signed-off-by: Christopher T. Lee <ctlee@ucsd.edu>
Signed-off-by: Christopher T. Lee <ctlee@ucsd.edu>
@ctlee ctlee marked this pull request as ready for review April 3, 2023 18:09
ctlee added 5 commits April 3, 2023 14:11
Signed-off-by: Christopher T. Lee <ctlee@ucsd.edu>
Signed-off-by: Christopher T. Lee <ctlee@ucsd.edu>
Signed-off-by: Christopher T. Lee <ctlee@ucsd.edu>
ctlee
ctlee previously approved these changes Apr 3, 2023
Copy link
Collaborator

@ctlee ctlee left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Too big to review closely. Things look ok.

Signed-off-by: Christopher T. Lee <ctlee@ucsd.edu>
ctlee added 2 commits April 3, 2023 13:40
Signed-off-by: Christopher T. Lee <ctlee@ucsd.edu>
Signed-off-by: Christopher T. Lee <ctlee@ucsd.edu>
@ctlee ctlee merged commit 3e450ad into development Apr 3, 2023
@ctlee ctlee deleted the python_functional_parameters branch January 23, 2024 16:54
# for free to join this conversation on GitHub. Already have an account? # to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants