Fig. 14

Illustration of the performance of the enumerator. The graph exemplifies the performance of the isomer enumerator in the context of the straight-chain alkanes \(\hbox {C}_{n}\hbox {H}_{2n+2}\) from \(\hbox {C}_{1}\hbox {H}_{4}\) to \(\hbox {C}_{25}\hbox {H}_{52}\). It shows the number of alkane (stereo)isomers as a function of the number of carbon atoms (yellow), the wall-clock time to count these (stereo)isomers (pink), and the wall-clock time spent per (stereo)isomer for the counting (purple). The left vertical axis shows the number of (stereo)isomers and the right vertical axis shows the elapsed wall-clock time. All calculations were performed on AMD EPYC 7763 CPUs of the ETH Zürich Euler cluster [40] and averaged over five runs. Note that values with \(t<0.001\) s are not displayed. The numerical values are provided in Table 1