From 083c0dd0c730979bd7a0f3277653a173dae4635b Mon Sep 17 00:00:00 2001
From: Sarath Menon <sarathmenon@mailbox.org>
Date: Thu, 14 Mar 2024 17:51:31 +0100
Subject: [PATCH] add table access functions

---
 calphy/utils.py | 24 ++++++++++++++++++++++++
 1 file changed, 24 insertions(+)

diff --git a/calphy/utils.py b/calphy/utils.py
index 93645ac..f9f5ff8 100644
--- a/calphy/utils.py
+++ b/calphy/utils.py
@@ -81,3 +81,27 @@ def create_job_from_inputfile(pr, inputfile, potential, kernel=None):
             print(f'could not find {basedir_path}, skipping')
 
 
+def get_energy_free(job):
+    return job["output/energy_free"]
+
+def get_temperature(job):
+    return job["output/temperature"]
+
+def get_phase(job):
+    raw = job.name.split('_')
+    if raw[-3] == 'liquid':
+        phase = 'liquid'
+    else:
+        phase = raw[1]
+    return phase
+
+def get_composition(job):
+    chem = job.project.db.get_item_by_id(job.id)['chemicalformula']
+    comp_split = re.split('(\d+)', chem)[:-1]
+    if len(comp_split) == 2:
+        if comp_split[0] == 'Al':
+            return 0.00
+        else:
+            return 1.00
+    else:
+        return int(comp_split[3])/(int(comp_split[1])+int(comp_split[3]))
\ No newline at end of file