Permalink
Browse files

Update docs for batt.

  • Loading branch information...
Shyue Ping Ong
Shyue Ping Ong committed May 2, 2012
1 parent 97dae65 commit df3f84366e430c82dd66a6b571196331348a5892
View
@@ -49,6 +49,7 @@ Latest Change Log (v1.9.0)
all pymatgen objects. See `Using pymatgen`_ section for more details.
2. Simplification to Borg API utilizing the new json API.
3. Bandstructure classes now support spin-polarized runs.
+4. Beta classes for battery (insertion and conversion) analysis.
.. toctree::
:maxdepth: 2
@@ -33,9 +33,3 @@ battery Package
:undoc-members:
:show-inheritance:
-Subpackages
------------
-
-.. toctree::
-
-
@@ -62,10 +62,7 @@ class AbstractElectrode(Sequence):
"""
An Abstract Base Class representing an Electrode. It is essentially a
sequence of VoltagePairs. Generally, subclasses only need to implement
- three abstract properties:
- voltage_pairs
- working_ion and
- working_ion_entry.
+ three abstract properties: voltage_pairs, working_ion and working_ion_entry.
The general concept is that all other battery properties such as capacity,
etc. are derived from voltage pairs.
@@ -294,13 +294,30 @@ def __init__(self, balanced_rxn, voltage, mAh, vol_charge, vol_discharge,
entries_charge, entries_discharge, working_ion_entry):
"""
Args:
- step1:
- Starting step
- step2:
- Ending step
- normalization_els:
- Elements to normalize the reaction by. To ensure correct
- capacities.
+ balanced_rxn:
+ BalancedReaction for the step
+ voltage:
+ Voltage for the step
+ mAh:
+ Capacity of the step
+ vol_charge:
+ Volume of charged state
+ vol_discharge:
+ Volume of discharged state
+ mass_charge:
+ Mass of charged state
+ mass_discharge:
+ Mass of discharged state
+ frac_charge:
+ Fraction of working ion in the charged state
+ frac_discharge:
+ Fraction of working ion in the discharged state
+ entries_charge:
+ Entries present in the charged state
+ entries_discharge:
+ Entries present in discharged state
+ working_ion_entry:
+ Entry of the working ion.
"""
self._working_ion_entry = working_ion_entry
working_ion = self._working_ion_entry.composition.elements[0].symbol
@@ -321,6 +338,9 @@ def __init__(self, balanced_rxn, voltage, mAh, vol_charge, vol_discharge,
@staticmethod
def from_steps(step1, step2, normalization_els):
"""
+ Creates a ConversionVoltagePair from two steps in the element profile
+ from a PD analysis.
+
Args:
step1:
Starting step

0 comments on commit df3f843

Please sign in to comment.