Added mol2 schema

src/reader/mol2/schema.d.ts

+/**
+ * Copyright (c) 2017 molio contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+
+import { Column } from '../common/column'
+
+// Full format http://chemyang.ccnu.edu.cn/ccb/server/AIMMS/mol2.pdf
+// there are many records but for now ignore (pass over) all but the following
+// @<TRIPOS>MOLECULE
+// @<TRIPOS>ATOM
+// @<TRIPOS>BOND
+//
+// note that the format is not a fixed column format but white space separated
+
+export interface Molecule {
+    mol_name: string
+    num_atoms: number
+    num_bonds: number
+    num_subst: number
+    num_feat: number
+    num_sets: number
+    mol_type: string
+    charge_type: string
+    status_bits: string
+    mol_comment: string
+}
+
+export interface Atoms {
+    count: number,
+
+    atom_id: Column<number>,
+    atom_name: Column<string>,
+    x: Column<number>,
+    y: Column<number>,
+    z: Column<number>,
+    atom_type: Column<string>,
+
+    // optional in the format, assign UndefinedColumn if not available
+    subst_id: Column<number>,
+    subst_name: Column<string>,
+    charge: Column<number>,
+    status_bit: Column<string>
+}
+
+export interface Bonds {
+    count: number,
+
+    bond_id: Column<number>,
+    origin_atom_id: Column<number>,
+    target_atom_id: Column<number>,
+    bond_type: Column<string>,
+
+    // optional in the format, assign UndefinedColumn if not available
+    status_bits: Column<string>
+}
+
+export interface Structure {
+    molecule: Readonly<Molecule>,
+    atoms: Readonly<Atoms>,
+    bonds: Readonly<Bonds>
+}
+
+export interface File {
+    structures: Structure[]
+}
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