From bf109afd7eebf5b1b1eea48fb0d0a0adf7ce5e7e Mon Sep 17 00:00:00 2001 From: Noel O'Boyle Date: Thu, 6 Jul 2017 19:23:30 +0100 Subject: [PATCH] Add some notes on how to add a new element. I will write some tests to enforce these rules. --- src/elementtable.h | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/src/elementtable.h b/src/elementtable.h index a72a825765..111b0329c8 100644 --- a/src/elementtable.h +++ b/src/elementtable.h @@ -155,3 +155,9 @@ ELEMTABLE(115, Mc, 0.00, 1.60, 1.60, 2.00, 6, 288.19, 0.00, 0, ELEMTABLE(116, Lv, 0.00, 1.60, 1.60, 2.00, 6, 293, 0.00, 0, 0, 0.99, 0.00, 0.08, Livermorium), ELEMTABLE(117, Ts, 0.00, 1.60, 1.60, 2.00, 6, 294, 0.00, 0, 0, 0.99, 0.00, 0.07, Tennessine), ELEMTABLE(118, Og, 0.00, 1.60, 1.60, 2.00, 6, 294, 0.00, 0, 0, 0.99, 0.00, 0.06, Oganesson), +// If you add a new element here, please update: +// 1. NUMELEMENTS in elements.cpp +// 2. Add a new const to the end of elements.h +// 3. Update the switch statement for symbol reading in elements.cpp, GetAtomicNum() +// 4. Ditto for the SMILES parser (which has its own switch statement) +// 5. Update the isotope table in elements.cpp, GetExactMass(). Remember to support the '0' value.