| 3 |
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import logging |
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import os |
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import subprocess |
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+ |
import logging |
| 7 |
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|
| 8 |
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fraw_list = []#List of all .md files found (even the includes). |
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fmd_list = []#List of all config .md files that can be run (not the includes). |
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dir_openmd = ""#Absolute path for openmd |
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dir_base = ""#Directory where the script is run from. |
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|
| 16 |
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FORMAT = '%(asctime)-15s %(message)s' |
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logging.basicConfig(format=FORMAT) |
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+ |
|
| 19 |
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""" |
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Function sets up the dir_base and dir_openmd. If an openmd executable is not |
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found, script exits. Function looks for the openmd in the relative location |
| 24 |
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""" |
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def setupDirectories(): |
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global dir_base, dir_openmd, dir_cwd |
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logger = logging.getLogger("tcpserver") |
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dir_base = os.getcwd() |
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if(os.path.isfile("../build/bin/openmd")): |
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os.chdir("../build/bin/") |
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dir_openmd = os.getcwd() |
| 32 |
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os.chdir(dir_base) |
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else: |
| 34 |
< |
print "OpenMD executable not found." |
| 34 |
> |
logger.error("OpenMD : %s", "openmd executable not found at the expected location. Script Will Quit...") |
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sys.exit() |
| 36 |
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|
| 37 |
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|
| 50 |
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validate_status_time = 0 |
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validate_sample_time = 0 |
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validate_run_time = 0 |
| 53 |
< |
|
| 53 |
> |
logger = logging.getLogger("tcpserver") |
| 54 |
> |
|
| 55 |
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samplefh = open(sample_file, "r") |
| 56 |
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validatefh = open(validate_file, "r") |
| 57 |
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|
| 92 |
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if (sample_status_time > 0) or (validate_status_time > 0): |
| 93 |
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if sample_status_time == validate_status_time: |
| 94 |
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return True |
| 89 |
– |
else: |
| 90 |
– |
return False |
| 95 |
|
|
| 96 |
|
if (sample_sample_time > 0) or (validate_sample_time > 0): |
| 97 |
|
if sample_sample_time == validate_sample_time: |
| 98 |
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return True |
| 95 |
– |
else: |
| 96 |
– |
return False |
| 99 |
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|
| 100 |
|
if (sample_run_time > 0) or (validate_run_time > 0): |
| 101 |
|
if sample_run_time == validate_run_time: |
| 102 |
|
return True |
| 101 |
– |
else: |
| 102 |
– |
return False |
| 103 |
|
|
| 104 |
+ |
logger.warning("MD File: %s", "Sample/Validation times do not match.") |
| 105 |
|
return False |
| 106 |
|
|
| 107 |
|
""" |
| 144 |
|
@return boolean |
| 145 |
|
""" |
| 146 |
|
def compare(fExpected, fNew, epsilon = 0.00001, ignore_sign=False): |
| 147 |
+ |
logger = logging.getLogger("tcpserver") |
| 148 |
|
fone = open(fExpected, 'r') |
| 149 |
|
ftwo = open(fNew, 'r') |
| 150 |
|
|
| 164 |
|
|
| 165 |
|
if lenone != lentwo: |
| 166 |
|
diffs = diffs + 1 |
| 167 |
< |
print "Line " + str(i) + " do not match in the files." |
| 167 |
> |
logger.warning("Line: %d - %s", i, "no mach") |
| 168 |
|
return True |
| 169 |
|
else: |
| 170 |
|
for j in range(lenone): |
| 221 |
|
@author Samuel Njoroge |
| 222 |
|
""" |
| 223 |
|
def runMdFiles(): |
| 224 |
+ |
logger = logging.getLogger("tcpserver") |
| 225 |
|
global dir_base, dir_openmd, dir_cwd |
| 226 |
|
output = [] |
| 227 |
|
for x in range(0, len(fmd_list)): |
| 228 |
|
#subprocess.call(["export FORCE_PARAM_PATH=/Users/snjoroge/Documents/openmd/development/forceFields"]) |
| 229 |
|
if "argon" in fmd_list[x]: |
| 230 |
< |
print "Switching to Directory: " + os.path.dirname(fmd_list[x]) |
| 230 |
> |
logger.debug("Switching to Directory: %s", os.path.dirname(fmd_list[x])) |
| 231 |
|
os.chdir(os.path.dirname(fmd_list[x])) |
| 232 |
< |
print "Running file: " + fmd_list[x] |
| 232 |
> |
logger.debug("Running: %s", fmd_list[x]) |
| 233 |
|
output = subprocess.call([dir_openmd + "/openmd", fmd_list[x]]) |
| 234 |
|
if(os.path.exists(os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".stat")): |
| 235 |
|
#print "Renaming File: " + fmd_base_list[x] + ".stat - " + fmd_base_list[x] + "_v.stat" |
| 236 |
|
#subprocess.call(["cp", os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".stat", os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + "_v.stat"]) |
| 237 |
< |
print "Comparing: " + fmd_base_list[x] + ".stat <=> " + fmd_base_list[x] + "_v.stat" |
| 237 |
> |
logger.debug("Comparing: %s", "Comparing: " + fmd_base_list[x] + ".stat <=> " + fmd_base_list[x] + "_v.stat") |
| 238 |
|
if(compare(os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".stat", os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + "_v.stat")): |
| 239 |
< |
print "Files Do not match." |
| 239 |
> |
logger.warning("Files: %s", "Files do not match.") |
| 240 |
|
else: |
| 241 |
< |
print "Files match." |
| 241 |
> |
logger.debug("Files Match") |
| 242 |
|
os.chdir(dir_base) |
| 243 |
|
|
| 244 |
|
def cleanUp(): |
| 245 |
< |
print "delete all files generated so not to commit" |
| 245 |
> |
print "Delete all files generated." |
| 246 |
|
for x in range(0, len(fmd_list)): |
| 247 |
< |
print "DELETE:" + os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".eor" |
| 248 |
< |
os.remove(os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".eor") |
| 249 |
< |
print "DELETE:" + os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".stat" |
| 250 |
< |
os.remove(os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".stat") |
| 251 |
< |
print "DELETE:" + os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".dump" |
| 252 |
< |
os.remove(os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".dump") |
| 247 |
> |
if(os.path.exists(os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".eor")): |
| 248 |
> |
print "DELETE:" + os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".eor" |
| 249 |
> |
os.remove(os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".eor") |
| 250 |
> |
if(os.path.exists(os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".stat")): |
| 251 |
> |
print "DELETE:" + os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".stat" |
| 252 |
> |
os.remove(os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".stat") |
| 253 |
> |
if(os.path.exists(os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".dump")): |
| 254 |
> |
print "DELETE:" + os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".dump" |
| 255 |
> |
os.remove(os.path.dirname(fmd_list[x]) + "/" + fmd_base_list[x] + ".dump") |
| 256 |
|
|
