#! /usr/bin/python3
# Last edited on 2021-11-25 21:19:27 by stolfi

# Computes the ternary phase diagram MgO MgCl2 H2O and writes 
# gnuplot commands for the same.

import ternary_phase_diagram_IMP
from math import sqrt, log, hypot
from sys import stderr, stdout

# The following procedures use two dictionaries {g} and {c}
# whose keys are compound labels (strings).
#
# The value of {g[lab]} is the molar mass of compound {lab} in grams.
# 
# The value {c[lab]} is the Cartesian coordinates {(X,Y)}
# of the corresponding point on the diagram. They assume that the triangle is isosceles 
# with horizontal base.

def g_c_set(g, c, f, g_f, c_f):
  # Assumes {g,c} as defined above. Defines the molar mass of compound
  # label {f} as {g_f} and its coordinates as the 2-tuple {c_f}. Also
  # prints to stderr.
  ternary_phase_diagram_IMP.g_c_set(g, c, f, g_f, c_f)
 
def g_c_combine(g, c, molar, f, L):
  # Assumes {g,c} as defined above. Defines the molar mass and
  # coordinates of compound label {f} by linear combination of the
  # components in list {L}. Each component is a pair {(mi,fi)} where
  # {mi} is a numeric multiplier and {fi} is the label of a compound
  # whose molar mass and coordinates are already in {g,c}.
  
  # The numeric multiplier is assumed to be moles if {molar} is true, 
  # or a mass fraction if {molar} is false. In the second case, the 
  # molar mass {g[f]} is set to {None}. Also prints to stderr."""
  ternary_phase_diagram_IMP.g_c_combine(g, c, molar, f, L)
 
def map_coords(c, f, fa, fb, fc):
  # Assumes {c} is a point coordinate dict as defined above.
  # 
  # Computes the XY plot coordinates of the compoind with label {f}.
  # Assumes that {fa,fb,fc} are the formulas of the compounds at
  # bottom left, top center, and bottm right corners
  # of the diagram, respectively. 
  # 
  # The coordinates in {c} are mapped so that the triangle is 
  # equilateral with base corners {(0,0), (1,0)}
  # and the apex up.
  return ternary_phase_diagram_IMP.map_coords(c, f, fa, fb, fc)

def write_XY_point_file(fname, c, psz, off, moff, fa, fb, fc):
  # Assumes {c} is a point coordinate dict as defined above.
  # 
  # Assumes {psz} maps compound labels to point sizes, {off} maps
  # compound labels to label coordinate offset pairs. The {moff} is a
  # scale factor applied to each coordinate of each offset in {off}
  # 
  # Writes to "{fname}-pt.txt" the XY point data file of the
  # tri-component phase diagram for all compounds in the dictionary.
  # Assumes that {fa,fb,fc} are the formulas of the compounds at bottom
  # left, top center, and bottm right corners of the diagram,
  # respectively."""
  ternary_phase_diagram_IMP.write_XY_point_file(fname, c, psz, off, moff, fa, fb, fc)

def write_XY_line_file(fname, c, seg, fa, fb, fc):
  # Assumes {c} is a point coordinate dict as in {define_diagram_points}.
  # 
  # Assumes that {seg} is a list of pairs of compound labels to be
  # connected by straight lines.
  # 
  # Writes to "{fname}-pt.txt" the point data file of the tri-component
  # phase diagram for all compounds in the dictionary. Assumes that
  # {fa,fb,fc} are the formulas of the compounds at bottom left, top
  # center, and bottm right corners of the diagram, respectively."""
  ternary_phase_diagram_IMP.write_XY_line_file(fname, c, seg, fa, fb, fc)

def write_XY_region_files(fname, c, reg, fa, fb, fc):
  # Assumes {c} is a point coordinate dict as in {define_diagram_points}.
  # 
  # Assumes that {reg} is a dict that maps region labels to vertex lists,
  # as in {define_diagram_regions}.
  # 
  # For each region {ri} in {reg}, writes to "{fname}-rg-{ri}.txt" the 
  # coordinates of the vertices of the region {ri}. Assumes that {fa,fb,fc}
  # are the formulas of the compounds at bottom left, top center, and 
  # bottm right corners of the diagram, respectively."""
  ternary_phase_diagram_IMP.write_XY_region_files(fname, c, reg, fa, fb, fc)