Is My New Chemistry Program Better Than the Windows Version?

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Discussion Overview

The discussion revolves around a newly developed chemistry program uploaded to SourceForge, which is compared to a Windows version used in a lab. Participants explore the program's features, bugs, and potential improvements, focusing on technical aspects of software development and debugging.

Discussion Character

  • Technical explanation
  • Debate/contested
  • Experimental/applied

Main Points Raised

  • One participant describes the new program as simple yet more functional than the Windows version, noting it does not require a mouse.
  • Another participant reports that the SourceForge website is down for maintenance, indicating a temporary issue accessing the project.
  • A participant lists several bugs found in the program, including segmentation faults triggered by specific inputs and memory leaks, providing hints for potential fixes.
  • Additional bugs are noted, such as allowing multiple periods in formulas and improper character acceptance for mass inputs, with suggestions for validation checks.
  • A participant acknowledges fixing some of the reported bugs and indicates that others will be addressed later, while also clarifying that one issue is intended as a feature.

Areas of Agreement / Disagreement

Participants generally agree on the existence of bugs and the need for improvements, but there is no consensus on the prioritization of fixes or the classification of certain behaviors as bugs versus features.

Contextual Notes

Limitations include the lack of a defined $MANPATH on the participant's system, which affects the installation process, and the ongoing nature of debugging, with some issues still unresolved.

Who May Find This Useful

Developers interested in chemistry software, users of programming forums, and those involved in debugging and software testing may find this discussion relevant.

grady
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I just uploaded a project to sourceforge. I got the idea from a windows program that I used in the lab this semester. The program is simple, but it still does more than the windows program I had to use (yay), and you don't have to use a mouse. The project is at http://sourceforge.net/projects/mmconv/

I still need to put an install target in the makefile, but I haven't figured out how to get the system's man page directory. I hear it should be $MANPATH, but $MANPATH isn't defined on my RH 8.0 system so I'm still looking into it.
 
Computer science news on Phys.org
We're Sorry.
The SourceForge.net Website is currently down for maintenance.
We will be back shortly

O, well. Maybe tomorrow.

About the man pages, have you tried doing man man
 
Just playing around with the program a little here are some bugs I found:

1. Seg Fault when '?' is entered
Hint: Simply check if \0 is the next character in the string. If it is, error, else proceed to error check some more

2. Seg Fault when F1-F4 are pressed
Hint: Check for unusual ascii characters

3. Seg Fault when return is pressed with no input.
Hint: Check to see if there is anything in the string before processing it.

4. Memory Leaks Galore
Hint: Walkthrough program with debugger and make sure you free everything you allocate. Use an app like memprof to help you deduce which function the memory leak is coming from.

5. Integer/Float overflow
Hint: If you don't want to bother with large numbers, atleast warn the user and don't print out wrong answers.

6. Any number of periods accepted anywhere in the formula
Hint: Check for multiple periods within numbers. Also check for stray periods

Look what I did:

compound > H.H...
mass (g) > ...
H : nan g
H : nan g

7. Characters Accpeted for Mass
Hint: Check your string to make sure the characters are between '0' and '9'

8. Multiple Instances of Element Printed
Hint: Flag the elements you've already printed out, so you don't repeat them.
 
9) Your allowed to type a question mark followed by the element. It puts everyone on one line if you do.

compound > ?HI
mass H (g) > 2
mass I (g) > 3
H 1.000000 I 0.011914
Total mass (g): 5.000000
 
Ok, I fixed 1-4. 5 I'll fix later. 6&7 I'm not worried about right now, but I didn't know that was there so thanks for pointing them out and I'll fix them when i have some more time. 8 is a feature, and I prettied up the output of ? so 9 is "fixed". Thanks for all of the input, dduardo.
 

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