SHAPEMOL: a 3-D code for calculating CO line emission in planetary and protoplanetary nebulae. Detailed model fitting of the complex nebula NGC 6302

Modern instrumentation in radioastronomy constitutes a valuable tool for studying the Universe: ALMA has reached unprecedented sensitivities and spatial resolution, while Herschel/HIFI has opened a new window for probing molecular warm gas (~50-1000 K). On the other hand, the software SHAPE has emerged in the past few years as a standard tool for determining the morphology and velocity field of different kinds of gaseous emission nebulae via spatio-kinematical modelling. SHAPE implements radiative transfer solving, but it is only available for atomic species and not for molecules. Being aware of the growing importance of the development of tools for simplifying the analyses of molecular data, we introduce shapemol, a complement to SHAPE, with which we intend to fill the so-far under-developed molecular niche. shapemol enables user-friendly, spatio-kinematic modelling with accurate non-LTE calculations of excitation and radiative transfer in CO lines. It allows radiative transfer solving in the 12CO and 13CO J=1-0 to J=17-16 lines, but its implementation permits easily extending the code to different molecular species. shapemol allows easily generating synthetic maps and line profiles to match against interferometric or single-dish observations. We fully describe shapemol and discuss its limitations and the sources of uncertainty to be expected in the final synthetic profiles or maps. As an example of the power and versatility of shapemol, we build a model of the molecular envelope of the planetary nebula NGC 6302 and compare it with 12CO and 13CO J=2-1 interferometric maps from SMA and high-J transitions from Herschel/HIFI. We find the molecular envelope to have a complex, broken ring-like structure with an inner, hotter region and several 'fingers' and high-velocity blobs, emerging outwards from the plane of the ring. We derive a mass of 0.11 Msun for the molecular envelope.