From 8dffedf57d362f88f189b9c91681a294f76312bd Mon Sep 17 00:00:00 2001
From: "Lewis A. Marshall" <lewis@purigenbio.com>
Date: Sat, 31 Oct 2020 11:54:45 -0700
Subject: [PATCH] Added a solution CLI.

---
 ionize/__main__.py | 30 +++++++++++++++---------------
 ionize/tests.py    |  4 ++++
 2 files changed, 19 insertions(+), 15 deletions(-)

diff --git a/ionize/__main__.py b/ionize/__main__.py
index 6e51fce..ac856e9 100644
--- a/ionize/__main__.py
+++ b/ionize/__main__.py
@@ -20,21 +20,21 @@ def ion(name):
     click.echo(Database()[name].serialize(nested=False, compact=True))
 
 
-# @cli.command()
-# @click.option('--ion', '-i', multiple=True)
-# @click.option('--concentration', '-c', multiple=True, type=float)
-# def solution(ion, concentration):
-#     sol = Solution(ion, concentration)
-#     click.echo('pH: {:0.4f}'.format(sol.pH))
-#     click.echo('ionic strength: {:0.4f} M'.format(sol.ionic_strength))
-#     click.echo('conductivity: {:0.4f} s/M'.format(sol.conductivity()))
-#     click.echo('Debye length: {:0.4f} um'.format(sol.debye()*1e6))
-#     click.echo(dir(sol))
-#
-#
-# @cli.command()
-# def io():
-#     pass
+@cli.command()
+@click.option('--serialize', '-s', is_flag=True)
+@click.argument("components", nargs=-1)
+def solution(components, serialize):
+    ions = components[::2]
+    concentrations = [float(c) for c in components[1::2]]
+    assert len(ions) == len(concentrations), "There must be a concentration for each ion."
+    sol = Solution(ions, concentrations)
+    if serialize:
+        click.echo(sol.serialize(nested=False, compact=True))
+    else:
+        click.echo('pH: {:0.4f}'.format(sol.pH))
+        click.echo('ionic strength: {:0.4f} M'.format(sol.ionic_strength))
+        click.echo('conductivity: {:0.4f} s/M'.format(sol.conductivity()))
+        click.echo('Debye length: {:0.4f} um'.format(sol.debye()*1e6))
 
 if __name__ == '__main__':
     cli()
diff --git a/ionize/tests.py b/ionize/tests.py
index d009f97..a8930a5 100644
--- a/ionize/tests.py
+++ b/ionize/tests.py
@@ -460,6 +460,10 @@ def test_ion_cli(self):
         result = runner.invoke(cli, ['ion', 'tris'])
         self.assertEqual(result.exit_code, 0)
 
+    def test_solution_cli(self):
+        runner = CliRunner()
+        result = runner.invoke(cli, ['solution', 'tris', '0.1', 'chloride', '0.05'])
+        self.assertEqual(result.exit_code, 0)
 
 if __name__ == '__main__':
     unittest.main()