test: add v3000 problem example

examples/v3000/load.js

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+'use strict';
+
+const { readFileSync } = require('fs');
+const { join } = require('path');
+
+const { Molecule } = require('../../dist/openchemlib-full.pretty');
+
+const molfile = readFileSync(join(__dirname, 'molfile.txt'), 'utf8');
+const molecule = Molecule.fromMolfile(molfile);
+console.log('molecule', molecule.getAllAtoms());
+
+const molfileNoSGroup = readFileSync(
+  join(__dirname, 'molfileNoSGroup.txt'),
+  'utf8',
+);
+const moleculeNoSGroup = Molecule.fromMolfile(molfileNoSGroup);
+console.log('moleculeNoSGroup', moleculeNoSGroup.getAllAtoms());
+
+const molfileV2000 = readFileSync(join(__dirname, 'molfileV2000.txt'), 'utf8');
+const moleculeV2000 = Molecule.fromMolfile(molfileV2000);
+console.log('moleculeV2000', moleculeV2000.getAllAtoms());

examples/v3000/molfile.txt

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+first line
+  ChemDraw10152219412D
+third line
+  0  0  0     0  0              0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 3 2 1 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.714471 -0.412500 0.000000 0
+M  V30 2 C 0.000000 0.000000 0.000000 0
+M  V30 3 N 0.714471 0.412500 0.000000 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 3 2 3
+M  V30 2 1 1 2
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(2 2 3) XBONDS=(1 2) LABEL=CN CSTATE=(4 2 -0.714471 -
+M  V30 -0.412500 0)
+M  V30 END SGROUP
+M  V30 END CTAB
+M  END

examples/v3000/molfileNoSGroup.txt

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+first line
+  ChemDraw10152219412D
+third line
+  0  0  0     0  0              0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 3 2 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.714471 -0.412500 0.000000 0
+M  V30 2 C 0.000000 0.000000 0.000000 0
+M  V30 3 N 0.714471 0.412500 0.000000 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 3 2 3
+M  V30 2 1 1 2
+M  V30 END BOND
+M  V30 END CTAB
+M  END

examples/v3000/molfileV2000.txt

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+
+  ChemDraw10152219562D
+
+  3  2  0  0  0  0  0  0  0  0999 V2000
+   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.7145    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
+  2  3  3  0      
+  1  2  1  0      
+M  STY  1   1 SUP
+M  SLB  1   1   1
+M  SAL   1  2   2   3
+M  SBL   1  1   2
+M  SMT   1 CN
+M  SBV   1   2   -0.7145   -0.4125
+M  END