smiles-js 2.0.3 → 2.2.0

package/test-integration/__snapshots__/hypertension-medication.test.js.snap

@@ -71,6 +71,23 @@ exports[`Telmisartan Integration Test parses telmisartan 1`] = `
 `;
 
 exports[`Telmisartan Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CCC');
+export const v2 = Fragment('C1=CC((=CC1))');
+export const v3 = Fragment('C1=NC((=CN1))');
+export const v4 = Fragment('C2=C(C=C(C=C2))');
+export const v5 = v3.fuse(2, v4);
+export const v6 = Fragment('C5=CC=CC5');
+export const v7 = Fragment('C5=NC=CN5');
+export const v8 = Fragment('C3=CC=C(C=C3)');
+export const v9 = Fragment('C6=CC=CC=C6');
+export const v10 = Fragment('C4=CC=CC=C4');
+export const v11 = Linear(['O'], ['=']);
+export const v12 = v5.addSequentialRings([{ ring: v7, depth: 1 }, { ring: v8, depth: 2 }, { ring: v9, depth: 1 }, { ring: v10, depth: 2 }], { chainAtoms: [{ atom: 'C', depth: 2, position: 'before' }, { atom: 'C', depth: 2, position: 'after', attachments: [v11] }, { atom: 'O', depth: 2, position: 'after' }, { atom: 'C', depth: 1, position: 'after' }] });
+export const v13 = Fragment('C');
+export const v14 = Molecule([v1, v12, v13]);"
+`;
+
+exports[`Telmisartan Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C', 'C']);
 export const v2 = Ring({ atoms: 'C', size: 5, bonds: ['=', null, '=', null, null], branchDepths: [0, 0, 0, 2, 2] });
 export const v3 = v2.substitute(2, 'N');
@@ -219,6 +236,22 @@ exports[`Losartan Integration Test parses losartan 1`] = `
 `;
 
 exports[`Losartan Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CCCC');
+export const v2 = Fragment('C1=CC=CC1');
+export const v3 = Fragment('C1=NC=CN1');
+export const v4 = Fragment('Cl');
+export const v5 = v3.attach(3, v4);
+export const v6 = Fragment('CO');
+export const v7 = v5.attach(4, v6);
+export const v8 = Fragment('C');
+export const v9 = Fragment('C2=CC=C(C=C2)');
+export const v10 = Fragment('C3=CC=CC=C3');
+export const v11 = Fragment('N4=NNN=N4');
+export const v12 = Fragment('C4=NNN=N4');
+export const v13 = Molecule([v1, v7, v8, v9, v10, v12]);"
+`;
+
+exports[`Losartan Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C', 'C', 'C']);
 export const v2 = Ring({ atoms: 'C', size: 5, bonds: ['=', null, '=', null, null] });
 export const v3 = v2.substitute(2, 'N');
@@ -372,6 +405,26 @@ exports[`Valsartan Integration Test parses valsartan 1`] = `
 `;
 
 exports[`Valsartan Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CCCCCNCCO');
+export const v2 = Linear(['O'], ['=']);
+export const v3 = v1.attach(5, v2);
+export const v4 = Fragment('C');
+export const v5 = Fragment('C1=CC=C(C=C1)');
+export const v6 = Fragment('C2=CC=CC=C2');
+export const v7 = Fragment('N3=NNN=N3');
+export const v8 = Fragment('C3=NNN=N3');
+export const v9 = v6.addSequentialRings([{ ring: v8 }]);
+export const v10 = Molecule([v4, v5, v9]);
+export const v11 = v3.attach(6, v10);
+export const v12 = Fragment('CC');
+export const v13 = Fragment('C');
+export const v14 = v12.attach(1, v13);
+export const v15 = v11.attach(7, v14);
+export const v16 = Linear(['O'], ['=']);
+export const v17 = v15.attach(8, v16);"
+`;
+
+exports[`Valsartan Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C', 'C', 'C', 'C', 'N', 'C', 'C', 'O']);
 export const v2 = Linear(['O'], ['=']);
 export const v3 = v1.attach(5, v2);
@@ -528,6 +581,22 @@ exports[`Irbesartan Integration Test parses irbesartan 1`] = `
 `;
 
 exports[`Irbesartan Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CCCC');
+export const v2 = Fragment('C1=CCCC1');
+export const v3 = Fragment('C1=NCCN1');
+export const v4 = Linear(['O'], ['=']);
+export const v5 = v3.attach(4, v4);
+export const v6 = Fragment('C2(CCCC2)');
+export const v7 = FusedRing({ metadata: { rings: [{ ring: v5, start: 4, end: 13, atoms: [{ position: 4, depth: 0, value: 'C', rings: [1, 1] }, { position: 5, depth: 0, value: 'N', bond: '=', rings: [1] }, { position: 6, depth: 0, value: 'C', rings: [2, 2, 1] }, { position: 11, depth: 0, value: 'C', rings: [1] }, { position: 13, depth: 0, value: 'N', rings: [1] }] }, { ring: v6, start: 6, end: 10, atoms: [{ position: 6, depth: 0, value: 'C', rings: [2, 2, 1] }, { position: 7, depth: 1, value: 'C', rings: [2], branchId: 10 }, { position: 8, depth: 1, value: 'C', rings: [2], branchId: 10 }, { position: 9, depth: 1, value: 'C', rings: [2], branchId: 10 }, { position: 10, depth: 1, value: 'C', rings: [2], branchId: 10 }] }] } });
+export const v8 = Fragment('C');
+export const v9 = Fragment('C3=CC=C(C=C3)');
+export const v10 = Fragment('C4=CC=CC=C4');
+export const v11 = Fragment('N5=NNN=N5');
+export const v12 = Fragment('C5=NNN=N5');
+export const v13 = Molecule([v1, v7, v8, v9, v10, v12]);"
+`;
+
+exports[`Irbesartan Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C', 'C', 'C']);
 export const v2 = Ring({ atoms: 'C', size: 5, bonds: ['=', null, null, null, null] });
 export const v3 = v2.substitute(2, 'N');
@@ -535,7 +604,7 @@ export const v4 = v3.substitute(5, 'N');
 export const v5 = Linear(['O'], ['=']);
 export const v6 = v4.attach(4, v5);
 export const v7 = Ring({ atoms: 'C', size: 5, ringNumber: 2, offset: 2, branchDepths: [0, 1, 1, 1, 1] });
-export const v8 = FusedRing({ metadata: { rings: [{ ring: v6, start: 4, end: 13, atoms: [{ position: 4, depth: 0, value: 'C', rings: [1, 1] }, { position: 5, depth: 0, value: 'N', bond: '=', rings: [1] }, { position: 6, depth: 0, value: 'C', rings: [2, 2, 1] }, { position: 11, depth: 0, value: 'C', rings: [1] }, { position: 13, depth: 0, value: 'N', rings: [1] }] }, { ring: v7, start: 6, end: 10, atoms: [{ position: 6, depth: 0, value: 'C', rings: [2, 2, 1] }, { position: 7, depth: 1, value: 'C', rings: [2] }, { position: 8, depth: 1, value: 'C', rings: [2] }, { position: 9, depth: 1, value: 'C', rings: [2] }, { position: 10, depth: 1, value: 'C', rings: [2] }] }] } });
+export const v8 = FusedRing({ metadata: { rings: [{ ring: v6, start: 4, end: 13, atoms: [{ position: 4, depth: 0, value: 'C', rings: [1, 1] }, { position: 5, depth: 0, value: 'N', bond: '=', rings: [1] }, { position: 6, depth: 0, value: 'C', rings: [2, 2, 1] }, { position: 11, depth: 0, value: 'C', rings: [1] }, { position: 13, depth: 0, value: 'N', rings: [1] }] }, { ring: v7, start: 6, end: 10, atoms: [{ position: 6, depth: 0, value: 'C', rings: [2, 2, 1] }, { position: 7, depth: 1, value: 'C', rings: [2], branchId: 10 }, { position: 8, depth: 1, value: 'C', rings: [2], branchId: 10 }, { position: 9, depth: 1, value: 'C', rings: [2], branchId: 10 }, { position: 10, depth: 1, value: 'C', rings: [2], branchId: 10 }] }] } });
 export const v9 = Linear(['C']);
 export const v10 = Ring({ atoms: 'C', size: 6, ringNumber: 3, bonds: ['=', null, '=', null, '=', null], branchDepths: [0, 0, 0, 0, 1, 1] });
 export const v11 = Ring({ atoms: 'C', size: 6, ringNumber: 4, bonds: ['=', null, '=', null, '=', null] });

package/test-integration/__snapshots__/local-anesthetics.test.js.snap

@@ -93,6 +93,19 @@ exports[`Lidocaine Integration Test parses lidocaine 1`] = `
 `;
 
 exports[`Lidocaine Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CCNCCN');
+export const v2 = Fragment('CC');
+export const v3 = v1.attach(3, v2);
+export const v4 = Linear(['O'], ['=']);
+export const v5 = v3.attach(5, v4);
+export const v6 = Fragment('C1=CC=CC=C1');
+export const v7 = Fragment('C');
+export const v8 = v6.attach(2, v7);
+export const v9 = Fragment('C');
+export const v10 = Molecule([v5, v8, v9]);"
+`;
+
+exports[`Lidocaine Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C', 'N', 'C', 'C', 'N']);
 export const v2 = Linear(['C', 'C']);
 export const v3 = v1.attach(3, v2);
@@ -210,6 +223,20 @@ exports[`Bupivacaine Integration Test parses bupivacaine 1`] = `
 `;
 
 exports[`Bupivacaine Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CCCC');
+export const v2 = Fragment('C1CCCCC1');
+export const v3 = Fragment('N1CCCCC1');
+export const v4 = Fragment('CN');
+export const v5 = Linear(['O'], ['=']);
+export const v6 = v4.attach(1, v5);
+export const v7 = Fragment('C2=CC=CC=C2');
+export const v8 = Fragment('C');
+export const v9 = v7.attach(2, v8);
+export const v10 = Fragment('C');
+export const v11 = Molecule([v1, v3, v6, v9, v10]);"
+`;
+
+exports[`Bupivacaine Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C', 'C', 'C']);
 export const v2 = Ring({ atoms: 'C', size: 6 });
 export const v3 = v2.substitute(1, 'N');
@@ -326,6 +353,20 @@ exports[`Ropivacaine Integration Test parses ropivacaine 1`] = `
 `;
 
 exports[`Ropivacaine Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CCC');
+export const v2 = Fragment('C1CCCCC1');
+export const v3 = Fragment('N1CCCCC1');
+export const v4 = Fragment('CN');
+export const v5 = Linear(['O'], ['=']);
+export const v6 = v4.attach(1, v5);
+export const v7 = Fragment('C2=CC=CC=C2');
+export const v8 = Fragment('C');
+export const v9 = v7.attach(2, v8);
+export const v10 = Fragment('C');
+export const v11 = Molecule([v1, v3, v6, v9, v10]);"
+`;
+
+exports[`Ropivacaine Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C', 'C']);
 export const v2 = Ring({ atoms: 'C', size: 6 });
 export const v3 = v2.substitute(1, 'N');
@@ -437,6 +478,20 @@ exports[`Mepivacaine Integration Test parses mepivacaine 1`] = `
 `;
 
 exports[`Mepivacaine Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('C');
+export const v2 = Fragment('C1CCCCC1');
+export const v3 = Fragment('N1CCCCC1');
+export const v4 = Fragment('CN');
+export const v5 = Linear(['O'], ['=']);
+export const v6 = v4.attach(1, v5);
+export const v7 = Fragment('C2=CC=CC=C2');
+export const v8 = Fragment('C');
+export const v9 = v7.attach(2, v8);
+export const v10 = Fragment('C');
+export const v11 = Molecule([v1, v3, v6, v9, v10]);"
+`;
+
+exports[`Mepivacaine Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C']);
 export const v2 = Ring({ atoms: 'C', size: 6 });
 export const v3 = v2.substitute(1, 'N');
@@ -530,6 +585,17 @@ exports[`Prilocaine Integration Test parses prilocaine 1`] = `
 `;
 
 exports[`Prilocaine Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CCCNCCN');
+export const v2 = Fragment('C');
+export const v3 = v1.attach(5, v2);
+export const v4 = Linear(['O'], ['=']);
+export const v5 = v3.attach(6, v4);
+export const v6 = Fragment('C1=CC=CC=C1');
+export const v7 = Fragment('C');
+export const v8 = Molecule([v5, v6, v7]);"
+`;
+
+exports[`Prilocaine Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C', 'C', 'N', 'C', 'C', 'N']);
 export const v2 = Linear(['C']);
 export const v3 = v1.attach(5, v2);
@@ -602,6 +668,15 @@ exports[`Benzocaine Integration Test parses benzocaine 1`] = `
 `;
 
 exports[`Benzocaine Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CCOC');
+export const v2 = Linear(['O'], ['=']);
+export const v3 = v1.attach(4, v2);
+export const v4 = Fragment('C1=CC=CC=C1');
+export const v5 = Fragment('N');
+export const v6 = Molecule([v3, v4, v5]);"
+`;
+
+exports[`Benzocaine Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C', 'O', 'C']);
 export const v2 = Linear(['O'], ['=']);
 export const v3 = v1.attach(4, v2);
@@ -697,6 +772,17 @@ exports[`Tetracaine Integration Test parses tetracaine 1`] = `
 `;
 
 exports[`Tetracaine Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CCCCN');
+export const v2 = Fragment('C1=CC=CC=C1');
+export const v3 = Fragment('COCCNC');
+export const v4 = Linear(['O'], ['=']);
+export const v5 = v3.attach(1, v4);
+export const v6 = Fragment('C');
+export const v7 = v5.attach(5, v6);
+export const v8 = Molecule([v1, v2, v7]);"
+`;
+
+exports[`Tetracaine Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C', 'C', 'C', 'N']);
 export const v2 = Ring({ atoms: 'C', size: 6, bonds: ['=', null, '=', null, '=', null] });
 export const v3 = Linear(['C', 'O', 'C', 'C', 'N', 'C']);
@@ -789,6 +875,17 @@ exports[`Procaine Integration Test parses procaine 1`] = `
 `;
 
 exports[`Procaine Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CCNCCOC');
+export const v2 = Fragment('CC');
+export const v3 = v1.attach(3, v2);
+export const v4 = Linear(['O'], ['=']);
+export const v5 = v3.attach(7, v4);
+export const v6 = Fragment('C1=CC=CC=C1');
+export const v7 = Fragment('N');
+export const v8 = Molecule([v5, v6, v7]);"
+`;
+
+exports[`Procaine Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C', 'N', 'C', 'C', 'O', 'C']);
 export const v2 = Linear(['C', 'C']);
 export const v3 = v1.attach(3, v2);

package/test-integration/__snapshots__/nsaids-otc.test.js.snap

@@ -76,6 +76,17 @@ exports[`Aspirin Integration Test parses aspirin 1`] = `
 `;
 
 exports[`Aspirin Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CCO');
+export const v2 = Linear(['O'], ['=']);
+export const v3 = v1.attach(2, v2);
+export const v4 = Fragment('c1ccccc1');
+export const v5 = Fragment('CO');
+export const v6 = Linear(['O'], ['=']);
+export const v7 = v5.attach(1, v6);
+export const v8 = Molecule([v3, v4, v7]);"
+`;
+
+exports[`Aspirin Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C', 'O']);
 export const v2 = Linear(['O'], ['=']);
 export const v3 = v1.attach(2, v2);
@@ -176,6 +187,19 @@ exports[`Ibuprofen Integration Test parses ibuprofen 1`] = `
 `;
 
 exports[`Ibuprofen Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CCC');
+export const v2 = Fragment('C');
+export const v3 = v1.attach(2, v2);
+export const v4 = Fragment('c1ccccc1');
+export const v5 = Fragment('CCO');
+export const v6 = Fragment('C');
+export const v7 = v5.attach(1, v6);
+export const v8 = Linear(['O'], ['=']);
+export const v9 = v7.attach(2, v8);
+export const v10 = Molecule([v3, v4, v9]);"
+`;
+
+exports[`Ibuprofen Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C', 'C']);
 export const v2 = Linear(['C']);
 export const v3 = v1.attach(2, v2);
@@ -285,10 +309,23 @@ exports[`Naproxen Integration Test parses naproxen 1`] = `
 `;
 
 exports[`Naproxen Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CO');
+export const v2 = Fragment('c1ccc(cc1)');
+export const v3 = Fragment('c2cc(ccc2)');
+export const v4 = FusedRing({ metadata: { rings: [{ ring: v2, start: 2, end: 11, atoms: [{ position: 2, depth: 0, value: 'c', rings: [1, 1] }, { position: 3, depth: 0, value: 'c', rings: [1] }, { position: 4, depth: 0, value: 'c', rings: [1] }, { position: 5, depth: 0, value: 'c', rings: [2, 2, 1] }, { position: 10, depth: 1, value: 'c', rings: [2, 1], branchId: 10 }, { position: 11, depth: 1, value: 'c', rings: [1], branchId: 10 }] }, { ring: v3, start: 5, end: 10, atoms: [{ position: 5, depth: 0, value: 'c', rings: [2, 2, 1] }, { position: 6, depth: 0, value: 'c', rings: [2] }, { position: 7, depth: 0, value: 'c', rings: [2] }, { position: 8, depth: 1, value: 'c', rings: [2], branchId: 10 }, { position: 9, depth: 1, value: 'c', rings: [2], branchId: 10 }, { position: 10, depth: 1, value: 'c', rings: [2, 1], branchId: 10 }] }] } });
+export const v5 = Fragment('CCO');
+export const v6 = Fragment('C');
+export const v7 = v5.attach(1, v6);
+export const v8 = Linear(['O'], ['=']);
+export const v9 = v7.attach(2, v8);
+export const v10 = Molecule([v1, v4, v9]);"
+`;
+
+exports[`Naproxen Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'O']);
 export const v2 = Ring({ atoms: 'c', size: 6, branchDepths: [0, 0, 0, 0, 1, 1] });
 export const v3 = Ring({ atoms: 'c', size: 6, ringNumber: 2, offset: 3, branchDepths: [0, 0, 0, 1, 1, 1] });
-export const v4 = FusedRing({ metadata: { rings: [{ ring: v2, start: 2, end: 11, atoms: [{ position: 2, depth: 0, value: 'c', rings: [1, 1] }, { position: 3, depth: 0, value: 'c', rings: [1] }, { position: 4, depth: 0, value: 'c', rings: [1] }, { position: 5, depth: 0, value: 'c', rings: [2, 2, 1] }, { position: 10, depth: 1, value: 'c', rings: [2, 1] }, { position: 11, depth: 1, value: 'c', rings: [1] }] }, { ring: v3, start: 5, end: 10, atoms: [{ position: 5, depth: 0, value: 'c', rings: [2, 2, 1] }, { position: 6, depth: 0, value: 'c', rings: [2] }, { position: 7, depth: 0, value: 'c', rings: [2] }, { position: 8, depth: 1, value: 'c', rings: [2] }, { position: 9, depth: 1, value: 'c', rings: [2] }, { position: 10, depth: 1, value: 'c', rings: [2, 1] }] }] } });
+export const v4 = FusedRing({ metadata: { rings: [{ ring: v2, start: 2, end: 11, atoms: [{ position: 2, depth: 0, value: 'c', rings: [1, 1] }, { position: 3, depth: 0, value: 'c', rings: [1] }, { position: 4, depth: 0, value: 'c', rings: [1] }, { position: 5, depth: 0, value: 'c', rings: [2, 2, 1] }, { position: 10, depth: 1, value: 'c', rings: [2, 1], branchId: 10 }, { position: 11, depth: 1, value: 'c', rings: [1], branchId: 10 }] }, { ring: v3, start: 5, end: 10, atoms: [{ position: 5, depth: 0, value: 'c', rings: [2, 2, 1] }, { position: 6, depth: 0, value: 'c', rings: [2] }, { position: 7, depth: 0, value: 'c', rings: [2] }, { position: 8, depth: 1, value: 'c', rings: [2], branchId: 10 }, { position: 9, depth: 1, value: 'c', rings: [2], branchId: 10 }, { position: 10, depth: 1, value: 'c', rings: [2, 1], branchId: 10 }] }] } });
 export const v5 = Linear(['C', 'C', 'O']);
 export const v6 = Linear(['C']);
 export const v7 = v5.attach(1, v6);
@@ -353,6 +390,16 @@ exports[`Ketoprofen Integration Test parses ketoprofen 1`] = `
 `;
 
 exports[`Ketoprofen Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CCCO');
+export const v2 = Fragment('c1ccccc1');
+export const v3 = Fragment('c2ccccc2');
+export const v4 = v2.addSequentialRings([{ ring: v3 }]);
+export const v5 = v1.attach(2, v4);
+export const v6 = Linear(['O'], ['=']);
+export const v7 = v5.attach(3, v6);"
+`;
+
+exports[`Ketoprofen Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C', 'C', 'O']);
 export const v2 = Ring({ atoms: 'c', size: 6 });
 export const v3 = Ring({ atoms: 'c', size: 6, ringNumber: 2 });
@@ -460,6 +507,19 @@ exports[`Diclofenac Integration Test parses diclofenac 1`] = `
 `;
 
 exports[`Diclofenac Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('OCC');
+export const v2 = Linear(['O'], ['=']);
+export const v3 = v1.attach(2, v2);
+export const v4 = Fragment('c1ccccc1');
+export const v5 = Fragment('N');
+export const v6 = Fragment('c2ccccc2');
+export const v7 = Fragment('Cl');
+export const v8 = v6.attach(2, v7);
+export const v9 = Fragment('Cl');
+export const v10 = Molecule([v3, v4, v5, v8, v9]);"
+`;
+
+exports[`Diclofenac Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['O', 'C', 'C']);
 export const v2 = Linear(['O'], ['=']);
 export const v3 = v1.attach(2, v2);

package/test-integration/__snapshots__/nsaids-prescription.test.js.snap

@@ -87,6 +87,19 @@ exports[`Celecoxib Integration Test parses celecoxib 1`] = `
 `;
 
 exports[`Celecoxib Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('C');
+export const v2 = Fragment('C1=CC=CC=C1');
+export const v3 = Fragment('C2=CC=CC2');
+export const v4 = Fragment('C2=CC=NN2');
+export const v5 = Fragment('CF');
+export const v6 = Fragment('F');
+export const v7 = v5.attach(1, v6);
+export const v8 = Fragment('F');
+export const v9 = v7.attach(1, v8);
+export const v10 = Molecule([v1, v2, v4, v9]);"
+`;
+
+exports[`Celecoxib Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C']);
 export const v2 = Ring({ atoms: 'C', size: 6, bonds: ['=', null, '=', null, '=', null] });
 export const v3 = Ring({ atoms: 'C', size: 5, ringNumber: 2, bonds: ['=', null, '=', null, null] });
@@ -144,6 +157,14 @@ exports[`Meloxicam Integration Test parses meloxicam 1`] = `
 `;
 
 exports[`Meloxicam Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('C');
+export const v2 = Fragment('C1=CC=CC1');
+export const v3 = Fragment('C1=CN=CS1');
+export const v4 = Fragment('C');
+export const v5 = Molecule([v1, v3, v4]);"
+`;
+
+exports[`Meloxicam Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C']);
 export const v2 = Ring({ atoms: 'C', size: 5, bonds: ['=', null, '=', null, null] });
 export const v3 = v2.substitute(3, 'N');
@@ -238,6 +259,18 @@ exports[`Piroxicam Integration Test parses piroxicam 1`] = `
 `;
 
 exports[`Piroxicam Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('C');
+export const v2 = Fragment('C1C=CC=CC=CC=CC=C1');
+export const v3 = Fragment('N1C=CC=CC=CC=CS=O1');
+export const v4 = Fragment('CN');
+export const v5 = Linear(['O'], ['=']);
+export const v6 = v4.attach(1, v5);
+export const v7 = Fragment('C3=CC=CC=C3');
+export const v8 = Fragment('C3=CC=CC=N3');
+export const v9 = Molecule([v1, v3, v6, v8]);"
+`;
+
+exports[`Piroxicam Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C']);
 export const v2 = Ring({ atoms: 'C', size: 11, bonds: [null, '=', null, '=', null, '=', null, '=', null, '=', null] });
 export const v3 = v2.substitute(1, 'N');
@@ -356,6 +389,21 @@ exports[`Etodolac Integration Test parses etodolac 1`] = `
 `;
 
 exports[`Etodolac Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CC');
+export const v2 = Fragment('C1=CC=C(C=C1)');
+export const v3 = Fragment('C2=CCC=C2');
+export const v4 = Fragment('C2=CNC=C2');
+export const v5 = Fragment('C3=CCCCC3');
+export const v6 = Fragment('C3=CCCOC3');
+export const v7 = Fragment('CC');
+export const v8 = v6.attach(6, v7);
+export const v9 = Linear(['O'], ['=']);
+export const v10 = FusedRing({ metadata: { rings: [{ ring: v2, start: 2, end: 7, atoms: [{ position: 2, depth: 0, value: 'C', rings: [1, 1] }, { position: 3, depth: 0, value: 'C', bond: '=', rings: [1] }, { position: 4, depth: 0, value: 'C', rings: [2, 1, 2] }, { position: 5, depth: 0, value: 'C', bond: '=', rings: [1, 2] }, { position: 6, depth: 1, value: 'C', rings: [1], branchId: 10 }, { position: 7, depth: 1, value: 'C', bond: '=', rings: [1], branchId: 10 }] }, { ring: v4, start: 4, end: 14, atoms: [{ position: 4, depth: 0, value: 'C', rings: [2, 1, 2] }, { position: 5, depth: 0, value: 'C', bond: '=', rings: [1, 2] }, { position: 12, depth: 0, value: 'N', rings: [2] }, { position: 13, depth: 0, value: 'C', rings: [3, 2, 3] }, { position: 14, depth: 0, value: 'C', bond: '=', rings: [2, 3] }] }, { ring: v8, start: 13, end: 18, atoms: [{ position: 13, depth: 0, value: 'C', rings: [3, 2, 3] }, { position: 14, depth: 0, value: 'C', bond: '=', rings: [2, 3] }, { position: 15, depth: 0, value: 'C', rings: [3] }, { position: 16, depth: 0, value: 'C', rings: [3] }, { position: 17, depth: 0, value: 'O', rings: [3] }, { position: 18, depth: 0, value: 'C', rings: [3] }] }], atoms: [{ position: 8, depth: 1, value: 'C', branchId: 10 }, { position: 9, depth: 1, value: 'C', branchId: 10, attachments: [v9] }, { position: 11, depth: 1, value: 'O', branchId: 10 }] } });
+export const v11 = Fragment('CC');
+export const v12 = Molecule([v1, v10, v11]);"
+`;
+
+exports[`Etodolac Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'C']);
 export const v2 = Ring({ atoms: 'C', size: 6, bonds: ['=', null, '=', null, '=', null], branchDepths: [0, 0, 0, 0, 1, 1] });
 export const v3 = Ring({ atoms: 'C', size: 5, ringNumber: 2, offset: 2, bonds: ['=', null, null, '=', null] });
@@ -365,7 +413,7 @@ export const v6 = v5.substitute(5, 'O');
 export const v7 = Linear(['C', 'C']);
 export const v8 = v6.attach(6, v7);
 export const v9 = Linear(['O'], ['=']);
-export const v10 = FusedRing({ metadata: { rings: [{ ring: v2, start: 2, end: 7, atoms: [{ position: 2, depth: 0, value: 'C', rings: [1, 1] }, { position: 3, depth: 0, value: 'C', bond: '=', rings: [1] }, { position: 4, depth: 0, value: 'C', rings: [2, 1, 2] }, { position: 5, depth: 0, value: 'C', bond: '=', rings: [1, 2] }, { position: 6, depth: 1, value: 'C', rings: [1] }, { position: 7, depth: 1, value: 'C', bond: '=', rings: [1] }] }, { ring: v4, start: 4, end: 14, atoms: [{ position: 4, depth: 0, value: 'C', rings: [2, 1, 2] }, { position: 5, depth: 0, value: 'C', bond: '=', rings: [1, 2] }, { position: 12, depth: 0, value: 'N', rings: [2] }, { position: 13, depth: 0, value: 'C', rings: [3, 2, 3] }, { position: 14, depth: 0, value: 'C', bond: '=', rings: [2, 3] }] }, { ring: v8, start: 13, end: 18, atoms: [{ position: 13, depth: 0, value: 'C', rings: [3, 2, 3] }, { position: 14, depth: 0, value: 'C', bond: '=', rings: [2, 3] }, { position: 15, depth: 0, value: 'C', rings: [3] }, { position: 16, depth: 0, value: 'C', rings: [3] }, { position: 17, depth: 0, value: 'O', rings: [3] }, { position: 18, depth: 0, value: 'C', rings: [3] }] }], atoms: [{ position: 8, depth: 1, value: 'C' }, { position: 9, depth: 1, value: 'C', attachments: [v9] }, { position: 11, depth: 1, value: 'O' }] } });
+export const v10 = FusedRing({ metadata: { rings: [{ ring: v2, start: 2, end: 7, atoms: [{ position: 2, depth: 0, value: 'C', rings: [1, 1] }, { position: 3, depth: 0, value: 'C', bond: '=', rings: [1] }, { position: 4, depth: 0, value: 'C', rings: [2, 1, 2] }, { position: 5, depth: 0, value: 'C', bond: '=', rings: [1, 2] }, { position: 6, depth: 1, value: 'C', rings: [1], branchId: 10 }, { position: 7, depth: 1, value: 'C', bond: '=', rings: [1], branchId: 10 }] }, { ring: v4, start: 4, end: 14, atoms: [{ position: 4, depth: 0, value: 'C', rings: [2, 1, 2] }, { position: 5, depth: 0, value: 'C', bond: '=', rings: [1, 2] }, { position: 12, depth: 0, value: 'N', rings: [2] }, { position: 13, depth: 0, value: 'C', rings: [3, 2, 3] }, { position: 14, depth: 0, value: 'C', bond: '=', rings: [2, 3] }] }, { ring: v8, start: 13, end: 18, atoms: [{ position: 13, depth: 0, value: 'C', rings: [3, 2, 3] }, { position: 14, depth: 0, value: 'C', bond: '=', rings: [2, 3] }, { position: 15, depth: 0, value: 'C', rings: [3] }, { position: 16, depth: 0, value: 'C', rings: [3] }, { position: 17, depth: 0, value: 'O', rings: [3] }, { position: 18, depth: 0, value: 'C', rings: [3] }] }], atoms: [{ position: 8, depth: 1, value: 'C', branchId: 10 }, { position: 9, depth: 1, value: 'C', branchId: 10, attachments: [v9] }, { position: 11, depth: 1, value: 'O', branchId: 10 }] } });
 export const v11 = Linear(['C', 'C']);
 export const v12 = Molecule([v1, v10, v11]);"
 `;
@@ -482,6 +530,21 @@ exports[`Ketorolac Integration Test parses ketorolac 1`] = `
 `;
 
 exports[`Ketorolac Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('OC');
+export const v2 = Linear(['O'], ['=']);
+export const v3 = v1.attach(2, v2);
+export const v4 = Fragment('C1CCCC1');
+export const v5 = Fragment('C1CCNC1');
+export const v6 = Fragment('C2C=CC=C2');
+export const v7 = v5.fuse(3, v6);
+export const v8 = Fragment('C');
+export const v9 = Linear(['O'], ['=']);
+export const v10 = v8.attach(1, v9);
+export const v11 = Fragment('C3=CC=CC=C3');
+export const v12 = Molecule([v3, v7, v10, v11]);"
+`;
+
+exports[`Ketorolac Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['O', 'C']);
 export const v2 = Linear(['O'], ['=']);
 export const v3 = v1.attach(2, v2);
@@ -604,6 +667,21 @@ exports[`Rofecoxib Integration Test parses rofecoxib 1`] = `
 `;
 
 exports[`Rofecoxib Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CS');
+export const v2 = Linear(['O'], ['=']);
+export const v3 = v1.attach(2, v2);
+export const v4 = Linear(['O'], ['=']);
+export const v5 = v3.attach(2, v4);
+export const v6 = Fragment('C1=CC=CC=C1');
+export const v7 = Fragment('C2=CCCC2');
+export const v8 = Fragment('C2=CCOC2');
+export const v9 = Linear(['O'], ['=']);
+export const v10 = v8.attach(3, v9);
+export const v11 = Fragment('C3=CC=CC=C3');
+export const v12 = Molecule([v5, v6, v10, v11]);"
+`;
+
+exports[`Rofecoxib Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'S']);
 export const v2 = Linear(['O'], ['=']);
 export const v3 = v1.attach(2, v2);
@@ -719,6 +797,20 @@ exports[`Etoricoxib Integration Test parses etoricoxib 1`] = `
 `;
 
 exports[`Etoricoxib Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('C');
+export const v2 = Fragment('C1=CC=CC=C1');
+export const v3 = Fragment('C1=NC=CC=C1');
+export const v4 = Fragment('C2=CC=CC=C2');
+export const v5 = Fragment('S');
+export const v6 = Linear(['O'], ['=']);
+export const v7 = v5.attach(1, v6);
+export const v8 = Linear(['O'], ['=']);
+export const v9 = v7.attach(1, v8);
+export const v10 = Fragment('C3=CC=CC=C3');
+export const v11 = Molecule([v1, v3, v4, v9, v10]);"
+`;
+
+exports[`Etoricoxib Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C']);
 export const v2 = Ring({ atoms: 'C', size: 6, bonds: ['=', null, '=', null, '=', null] });
 export const v3 = v2.substitute(2, 'N');
@@ -819,10 +911,21 @@ exports[`Nabumetone Integration Test parses nabumetone 1`] = `
 `;
 
 exports[`Nabumetone Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('CO');
+export const v2 = Fragment('C1=CC(=CC=C1)');
+export const v3 = Fragment('C2=CC(CC=C2)');
+export const v4 = FusedRing({ metadata: { rings: [{ ring: v2, start: 2, end: 11, atoms: [{ position: 2, depth: 0, value: 'C', rings: [1, 1] }, { position: 3, depth: 0, value: 'C', bond: '=', rings: [1] }, { position: 4, depth: 0, value: 'C', rings: [2, 2, 1] }, { position: 9, depth: 1, value: 'C', bond: '=', rings: [2, 1], branchId: 11 }, { position: 10, depth: 1, value: 'C', rings: [1], branchId: 11 }, { position: 11, depth: 1, value: 'C', bond: '=', rings: [1], branchId: 11 }] }, { ring: v3, start: 4, end: 9, atoms: [{ position: 4, depth: 0, value: 'C', rings: [2, 2, 1] }, { position: 5, depth: 0, value: 'C', bond: '=', rings: [2] }, { position: 6, depth: 0, value: 'C', rings: [2] }, { position: 7, depth: 1, value: 'C', rings: [2], branchId: 11 }, { position: 8, depth: 1, value: 'C', rings: [2], branchId: 11 }, { position: 9, depth: 1, value: 'C', bond: '=', rings: [2, 1], branchId: 11 }] }] } });
+export const v5 = Fragment('CCCC');
+export const v6 = Linear(['O'], ['=']);
+export const v7 = v5.attach(3, v6);
+export const v8 = Molecule([v1, v4, v7]);"
+`;
+
+exports[`Nabumetone Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['C', 'O']);
 export const v2 = Ring({ atoms: 'C', size: 6, bonds: ['=', null, '=', null, '=', null], branchDepths: [0, 0, 0, 1, 1, 1] });
 export const v3 = Ring({ atoms: 'C', size: 6, ringNumber: 2, offset: 2, bonds: ['=', null, null, null, '=', null], branchDepths: [0, 0, 0, 1, 1, 1] });
-export const v4 = FusedRing({ metadata: { rings: [{ ring: v2, start: 2, end: 11, atoms: [{ position: 2, depth: 0, value: 'C', rings: [1, 1] }, { position: 3, depth: 0, value: 'C', bond: '=', rings: [1] }, { position: 4, depth: 0, value: 'C', rings: [2, 2, 1] }, { position: 9, depth: 1, value: 'C', bond: '=', rings: [2, 1] }, { position: 10, depth: 1, value: 'C', rings: [1] }, { position: 11, depth: 1, value: 'C', bond: '=', rings: [1] }] }, { ring: v3, start: 4, end: 9, atoms: [{ position: 4, depth: 0, value: 'C', rings: [2, 2, 1] }, { position: 5, depth: 0, value: 'C', bond: '=', rings: [2] }, { position: 6, depth: 0, value: 'C', rings: [2] }, { position: 7, depth: 1, value: 'C', rings: [2] }, { position: 8, depth: 1, value: 'C', rings: [2] }, { position: 9, depth: 1, value: 'C', bond: '=', rings: [2, 1] }] }] } });
+export const v4 = FusedRing({ metadata: { rings: [{ ring: v2, start: 2, end: 11, atoms: [{ position: 2, depth: 0, value: 'C', rings: [1, 1] }, { position: 3, depth: 0, value: 'C', bond: '=', rings: [1] }, { position: 4, depth: 0, value: 'C', rings: [2, 2, 1] }, { position: 9, depth: 1, value: 'C', bond: '=', rings: [2, 1], branchId: 11 }, { position: 10, depth: 1, value: 'C', rings: [1], branchId: 11 }, { position: 11, depth: 1, value: 'C', bond: '=', rings: [1], branchId: 11 }] }, { ring: v3, start: 4, end: 9, atoms: [{ position: 4, depth: 0, value: 'C', rings: [2, 2, 1] }, { position: 5, depth: 0, value: 'C', bond: '=', rings: [2] }, { position: 6, depth: 0, value: 'C', rings: [2] }, { position: 7, depth: 1, value: 'C', rings: [2], branchId: 11 }, { position: 8, depth: 1, value: 'C', rings: [2], branchId: 11 }, { position: 9, depth: 1, value: 'C', bond: '=', rings: [2, 1], branchId: 11 }] }] } });
 export const v5 = Linear(['C', 'C', 'C', 'C']);
 export const v6 = Linear(['O'], ['=']);
 export const v7 = v5.attach(3, v6);
@@ -902,6 +1005,16 @@ exports[`Oxaprozin Integration Test parses oxaprozin 1`] = `
 `;
 
 exports[`Oxaprozin Integration Test generates valid code via toCode() 1`] = `
+"export const v1 = Fragment('OCCC');
+export const v2 = Linear(['O'], ['=']);
+export const v3 = v1.attach(2, v2);
+export const v4 = Fragment('C1=CC=CC1');
+export const v5 = Fragment('C1=NC=CO1');
+export const v6 = Fragment('C3=CC=CC=C3');
+export const v7 = Molecule([v3, v5, v6]);"
+`;
+
+exports[`Oxaprozin Integration Test generates valid verbose code via toCode() 1`] = `
 "export const v1 = Linear(['O', 'C', 'C', 'C']);
 export const v2 = Linear(['O'], ['=']);
 export const v3 = v1.attach(2, v2);