I feel exactly the opposite. I'm suspicious of anyone that does not use AWK (or other Unix text utilities) as a standard tool for checking the integrity of multi-gigabyte files, or generating summaries. AWK is super-fast, allows highly flexible checks, and allows quick and reliable interaction with huge amounts of data in the way that a script can not.
To build the string, I had to concatenate 1024 of the 32 characters strings to an intermediate string, and then concatenate these into the final monster, because concatenate just the 32 character strings took too long - a reallocation after every concatenation.
That was fun.
Bit-packing is simple. You spent a lot of time working around problems that shouldn't have existed in the first place. Even when using the approach you described, here is Python code which does what you described:
>>> byte_to_bits = dict((chr(i), bin(i)[2:].zfill(8)) for i in range(256))
>>> byte_to_bits["A"]
'01000001'
>>> as_bits = "".join(byte_to_bits[c] for c in open("benzotriazole.sdf").read())
>>> as_bits[:16]
'0000110100001010'
>>> chr(int(as_bits[:8], 2))
'\r'
>>> chr(int(as_bits[8:16], 2))
'\n'
>>> open("benzotriazole.sdf").read(2)
'\r\n'
This keeps everything in memory, since 300MB is not a lot of memory. If it was in the GB range then I would have written to a file instead of building an in-memory string.The run-time was small enough that I didn't notice it.
The thing is, you succeeded in solving the problem, and are justly proud of your success. This is how a lot of scientists feel. But a lot of CS people look at the wasted work when there are simpler, better, more maintainable ways.
It is intentional fraud, no doubt about it; they restarted halted clinical trials. I was just pointing out they did sloppy work too.
Fundamental methodological error -> "Come on, these are competent people, you have to trust that whatever error they made didn't effect the final result."
False claim of accolade -> "How dare you fucking try to pass off this garbage as legitimate science?!?!?"
If you work with that mentality, you're asking for trouble. Well, not so much asking for trouble, but sending Trouble a voicemail that says "We're over here, you lazy bastard, just see if you can mess something up!"