Interfaces

Interface

class Interface(src, id, p1, p2, p3, p4)

Interface class constructor.

See Interfaces.

See also: importEdge(), importInterface()

Parameters:
  • src – CTI or CTML file containing the interface or edge phase.
  • id – Name of the interface or edge phase in the CTI or CTML file.
  • p1 – Adjoining phase to the interface.
  • p2 – Adjoining phase to the interface.
  • p3 – Adjoining phase to the interface.
  • p4 – Adjoining phase to the interface.
Returns:

Instance of class Interface()

concentrations(s)

Get the concentrations of the species on an interface.

Parameters:s – Instance of class Interface() with surface species
Returns:If no output value is assigned, a bar graph will be plotted. Otherwise, a vector of length n_surf_species will be returned.
coverages(s)

Get the surface coverages of the species on an interface.

Parameters:s – Instance of class Interface() with surface species
Returns:If no output value is assigned, a bar graph will be plotted. Otherwise, a vector of length n_surf_species will be returned.
importEdge(file, name, phase1, phase2, phase3, phase4)

Import edges between phases.

Supports up to four neighbor phases. See Interfaces

Parameters:
  • file – File containing phases
  • name – Name of phase
  • phase1 – First neighbor phase
  • phase2 – Second neighbor phase
  • phase3 – Third neighbor phase
  • phase4 – Fourth neighbor phase
Returns:

Instance of class Interface()

importInterface(file, name, phase1, phase2)

Import an interface between phases.

See Interfaces.

Parameters:
  • file – CTI or CTML file containing the interface
  • name – Name of the interface to import
  • phase1 – First phase in the interface
  • phase2 – Second phase in the interface
Returns:

Instance of class Interface()

setCoverages(s, cov, norm)

Set surface coverages of the species on an interface.

Parameters:
  • s – Instance of class Interface()
  • cov – Coverage of the species. cov can be either a vector of length n_surf_species, or a string in the format 'Species:Coverage, Species:Coverage'
  • norm – Optional flag that denotes whether or not to normalize the species coverages. norm is either of the two strings 'nonorm'` or 'norm'. If left unset, the default is norm. This only works if s is a vector, not a string. Since unnormalized coverages can lead to unphysical results, 'nonorm' should be used only in rare cases, such as computing partial derivatives with respect to a species coverage.