bobleesj / cifkit

High-throughput .cif analysis made easy. Visit: https://bobleesj.github.io/cifkit/
https://bobleesj.github.io/cifkit/
MIT License
11 stars 0 forks source link

Include print option for compute_connections #13

Closed bobleesj closed 1 month ago

bobleesj commented 1 month ago

Is your feature request related to a problem? Please describe.

Cif has lazy-loading properties derived from computing pair distances by calling compute_connections For .cif files with larger supercell atom count of 1,000 or beyond, it may take 1 to 3 seconds to initialize them. The user should have the option to be notified that the connections are being computed as shown below:

def compute_connections(self, cutoff_radius=10.0, **ADD: log_progress**):
    """Compute nearest neighbor connections per site label."""
      if log_progress:
          self._log_info(CifLog.COMPUTE_CONNECTIONS.value)
bobleesj commented 1 month ago

This is implemented in 1.0.2.