porems.system.
PoreSystem
¶This class is a container class for further pore system classes.
Attachement
_siloxane (self, hydro, site_type[, slx_dist]) |
Attach siloxane bridges using function porems.pore.Pore.siloxane() . |
attach (self, mol, mount, axis, amount[, …]) |
Attach molecule on the surface. |
Finalization
finalize (self) |
Finalize pore system. |
store (self[, link, sort_list]) |
Store pore system and all necessary files for simulation at given link. |
yml (self[, link]) |
Save yaml file with properties necessary for analysis. |
Analysis
_table_base (self, props[, decimals]) |
Base functino for converting properties to pandas table for easy viewing. |
allocation (self) |
Calculate molecule allocation on the surface. |
box (self) |
Return the box size of the pore block. |
centroid (self) |
Return pore centroid. |
reservoir (self) |
Return the reservoir length. |
shape (self) |
Return the pore shape for analysis using PoreAna. |