[Chemistry] New file with Examples

[discoleo]

Chemistry Examples

Partly DONE:

• missing molecules/comments: are marked in the code with [1], [2] & [3];

1. Cholesterol: 1st example
2. Triterpenoids
3. Spiroderivatives
4. Other

Note:

• [DONE] refactorization/simplification;

#### Poly-cyclic chemical molecules ####

### Cholesterol backbone
plot.base()
lines(parseCycles("6|6\\6|5"))

# [1] full name can be added:
### Pentacyclic Triterpene backbone
plot.base()
lines(parseCycles("6|6\\6|6\\6"))

# [2] this does not work yet, but can be added as a test
# TODO
plot.base()
lines(parseCycles("6|6\\6|6\\5"))

# [3] molecules from vegetables;
### Psoralens & Pabulenol quasi-backbone
# - vegetables: parsnip (pastarnac) & parsley (patrunjel);
plot.base()
lines(parseCycles("6|6|5"))

### Spiro-Derivatives
plot.base()
lines.arrow(list(parseCycles("6|6|5<5"), list()))

plot.base()
lines.arrow(list(parseCycles("6|6|5<7"), list()))

### Other
plot.base()
lines.arrow(list(parseCycles("6|6|6|5<3"), list()))

plot.base()
lines.arrow(list(parseCycles("5-5"), list()))

### Sesquifulvalene backbone
plot.base()
lines.arrow(list(parseCycles("7=5"), list()))

[DarianFlorianVoda]

Added them also into the test file and created an example file with these examples (excluded [2] where it belongs to tests while not working).