Config

Config

~/.pyrumprc

A plain macro file — no different from anything XEQ runs — that's read once at startup, before you're dropped into the prompt, unless you pass --norc. It lives at Path.home() / ".pyrumprc": that's ~/.pyrumprc on Linux/macOS and C:\Users\<you>\.pyrumprc on Windows, same filename either way, nothing further to configure. A minimal one is just ordinary commands, one per line:

$ cat ~/.pyrumprc
faithful off
mev 3.5
theta 5
region 300 800

faithful off toggles the session between the shipped C's bug-for-bug behaviour (the default) and the corrected physics available at that point in the port — see Design and validation. It's a session setting, not persisted on its own, so ~/.pyrumprc is how you make it a standing per-user default. --faithful on/--faithful off overrides it for one invocation, applied after ~/.pyrumprc runs but before any macro passed on the command line — the macro can still set FAITHFUL itself if it needs to.

mev 3.5/theta 5 are default experiment settings. MEV/THETA/PHI/ PSI/OMEGA/CHARGE/CURRENT/FWHM/CORRECTION/CHOFF/CONVERSION/ OFFSET/GEOMETRY/BEAM all normally act on the ACTIVE buffer — but before any GET, there is no active buffer, so they fall back to a session-wide default instead of erroring. That makes it possible to explore a SIM sample's theoretical spectrum (PLOT 0) with no real data loaded at all. The same defaults also fill in for a freshly-read ASCII spectrum, which carries no beam/geometry/detector metadata of its own — so GETting one picks up your defaults instead of the code's hardcoded 2.0 MeV. A .RBS file's own metadata always wins, and once any real buffer becomes ACTIVE, these commands go back to editing it, exactly as before — the defaults are only a fallback, never a silent override of real data.

region 300 800 works from ~/.pyrumprc for a different reason: REGION (and SCALE/LABELS/ENERGY/COUNTS/BLOWUP, the other plot-state commands) write straight to session-wide state that was never gated on an active buffer in the first place, so they've always been usable before any GET — no code changes were needed to support them here. It also now shapes COMPARE, not just PLOT/OVERLAY (see the 1.1.0 changelog entry). As a rule of thumb for anything not listed above: if a command already writes to session-wide state rather than a specific buffer, it works from ~/.pyrumprc for free; only a command that hard-requires an active buffer needs the fallback that MEV/THETA/etc. got in 1.1.0.

Settings

DATA

usage: DATA [dir]

With no argument, prints the directory the atomic tables (atom4.dat, pscoef.dat, stopping-power tables, …) were loaded from. With one, reloads every table from that directory instead and forces the simulation buffer to recompute — for comparing two table sets without restarting pyRUMP.

FAITHFUL [new]

usage: FAITHFUL [on|off]

Toggles the session between the shipped C's bug-for-bug behaviour (the default) and pyRUMP's corrected physics where the two diverge — see Design and validation for what "corrected" covers. With no argument, reports the current state instead of changing it. Has no original-RUMP counterpart, hence [new].

SCREENING [new]

usage: SCREENING [none|lecuyer|andersen]

Selects the Rutherford screening correction. LECUYER is RUMP's own and the default. ANDERSEN is a pyRUMP addition (Andersen et al., Phys. Rev. A 21 (1980) 1891) — more accurate at forward angles, but with no RUMP oracle to validate it against, and per its own literature, may be inaccurate below a few hundred keV or at small scattering angles.

MODE [new]

usage: MODE [Comp|Atoms]

Sets how SIM/PERT describe a layer's thickness. Comp is RUMP's own convention: a physical thickness (normally Angstroms) split across elements by stoichiometric ratio — SIM/PERT's THICKNESS and COMPOSITION. Atoms instead holds each element's own areal density directly in COMPOSITION, with THICKNESS just their sum in /CM2 — SIM/PERT's ATOMS. Only one set of commands is usable at a time, gated by this setting, so a fit can never mix the two conventions on the same layer. Switching recalculates every layer between the two conventions through each layer's own atomic density — not a relabelling — so the simulated spectrum is unchanged either way. With no argument, prints the current mode.

PROFILE

Not implemented — never was, even in the original (RbsNewprf, dead code in the shipped C). Reproduced verbatim: it prints "OOPS: Didn't think anyone used this routine anymore - sorry not implemented" and does nothing.