def test_add(self):
s = Solution(**self.d)
s2 = Solution(components=[{'classification':{'CHEBI':'1234'},
'concentration':2 * ureg.micromolar}],
container={"ctype":"micro-1.5"},
volume=1*ureg.milliliter)
s.add(s2, 10 * ureg.microliter)
assert (s.components[0]['concentration'] - 1.01*ureg.micromolar) < 0.001*ureg.micromolar
s3 = Solution(volume=1*ureg.liter)
s3.add(s2, 10*ureg.microliter)
def test_add(self):
s = Solution(**self.d)
s2 = Solution(components=[{
'classification': {
'CHEBI': '1234'
},
'concentration': 2 * ureg.micromolar
}],
container={"ctype": "micro-1.5"},
volume=1 * ureg.milliliter)
s.add(s2, 10 * ureg.microliter)
assert (s.components[0]['concentration'] -
1.01 * ureg.micromolar) < 0.001 * ureg.micromolar
s3 = Solution(volume=1 * ureg.liter)
s3.add(s2, 10 * ureg.microliter)
def test_dist(self):
#A distance measure for comparing solution objects, specifically
#for use in the non-constraint, component-only portion of solution
#optimization.
s1 = Solution(**self.d)
s2 = Solution(**self.d1)
s3 = Solution(**self.d2)
# Coincidence, non-negativity
assert s1.dist(s2) == 0
assert s1.dist(s1) == 0
s1.add(s1, 1*ureg.microliter)
assert s1.dist(s2) < 0.00001
s2.add(s3, 1 * ureg.microliter)
assert s1.dist(s2) > 0
# Symmetry
assert (s1.dist(s2) - s2.dist(s1)) < 0.00001
# Triangle inequality
s3.add(s1, 10 * ureg.microliter)
s3.add(s2, 10 * ureg.microliter)
assert s3.dist(s2) <= s3.dist(s1) + s1.dist(s2)
def test_dist(self):
#A distance measure for comparing solution objects, specifically
#for use in the non-constraint, component-only portion of solution
#optimization.
s1 = Solution(**self.d)
s2 = Solution(**self.d1)
s3 = Solution(**self.d2)
# Coincidence, non-negativity
assert s1.dist(s2) == 0
assert s1.dist(s1) == 0
s1.add(s1, 1 * ureg.microliter)
assert s1.dist(s2) < 0.00001
s2.add(s3, 1 * ureg.microliter)
assert s1.dist(s2) > 0
# Symmetry
assert (s1.dist(s2) - s2.dist(s1)) < 0.00001
# Triangle inequality
s3.add(s1, 10 * ureg.microliter)
s3.add(s2, 10 * ureg.microliter)
assert s3.dist(s2) <= s3.dist(s1) + s1.dist(s2)