Commit: 541d5f73c5fe4a058d2daff1745e5829b8b66762 - myprojects-hg-reborn (hg)

Commit MetaInfo

• Revisão: 541d5f73c5fe4a058d2daff1745e5829b8b66762 (tree)
• Hora: 2007-11-20 01:37:45
• Autor: iselllo
• Commiter: iselllo

Mensagem de Log

I modified read_1_particle_kind.tcl which is now able to read and save
(from the configuration blockfiles) all the particles coordinates at
different times in a format suitable for R and Python.

Mudança Sumário

• modified: TCL-codes/read_1_particle_kind.tcl

Diff

diff -r 9e91fa3006a3 -r 541d5f73c5fe TCL-codes/read_1_particle_kind.tcl
--- a/TCL-codes/read_1_particle_kind.tcl	Mon Nov 19 12:29:56 2007 +0000
+++ b/TCL-codes/read_1_particle_kind.tcl	Mon Nov 19 16:37:45 2007 +0000
@@ -1,94 +1,161 @@
-
-#set f [open "config_1" "r"]
-#while { [blockfile $f read auto] != "eof" } {}
-#close $f
-
-#puts "ok reading the block file"
 
-#set rdf [analyze rdf 0 0 0.9 [expr $box_l/2] 100]
-#puts "the box size is $box_l"
-#puts "the radial density is $rdf"
-#set rlist ""
-#set rdflist ""
-#foreach value [lindex $rdf 1] {
-#lappend rlist [lindex $value 0]
-#lappend rdflist [lindex $value 1]
-#}
 
+# first a test on reading a single configuration
+
+
+
+set f [open "config_2" "r"]
+while { [blockfile $f read auto] != "eof" } {}
+close $f
+
+puts "ok reading the block file"
+
+
+
+puts "I read a specific configuration"
+
+ analyze append 
+
+#puts "u is, $u "
+
+set z [analyze config]
+
+
+puts "z is, $z "
+
+
+#Now I try saving the configuration to a specific file
+
+
+set obs [open "my_saved_config.dat" "w"]
+
+#the following line saves the particle positions in a funny way
+#i.e. exactly as a TCL list
+
+puts $obs "$z " 
+
+close $obs
+
+#z is now a list of 3N particle positions (3 positions x,y,z per particle)
+#however, the list should be read as a row, i.e. the 6th position of the list is given by
+# [lindex  $z 0 5] (arrays are numbered from zero, C-style) i.e. zero-th row and 5-th column (always 
+#counting from zero). 
+
+set zt [lindex $z 0 5]
+
+puts "z(5) is, $zt"
 
 
 
 
 
-set f [open "config_6" "r"]
-while { [blockfile $f read auto] != "eof" } {}
-close $f
+set zlist ""
 
-puts "ok reading the block file"
+foreach value [lindex $z 0] {
+#puts "value is, $value"
+lappend zlist [lindex $value 0]
+}
 
-for {set i 0} {$i < 100} {incr i} { lappend rdf_single 0}
-puts "rdf_single is $rdf_single"
-# the previous avg_single is used only to contain the results of the statistics on a single configuration
-# in a convenient way.
+puts "zlist is, $zlist"
+
+#this way I am saving zlist as an array
+
+#Now I save the array to a file I can read with R, Python, etc...
+
+set obs2 [open "example_configuration.dat" "w"]
+
+foreach r $zlist  { puts $obs2 "$r" }
+close $obs2
 
 
-set rdf [analyze rdf 0 0 0.9 [expr $box_l/2] 100]
-puts "the box size is $box_l"
-puts "the radial density is $rdf"
-set rlist ""
-set rdflist ""
-foreach value [lindex $rdf 1] {
-lappend rlist [lindex $value 0]
-lappend rdflist [lindex $value 1]
-}
-
-
-set rdf_single [vecadd $rdf_single $rdflist]
-
-set plot [open "rdf_single.data" "w"]
-puts $plot "\# r rdf(r)"
-foreach r $rlist rdf $rdf_single { puts $plot "$r $rdf" }
-close $plot
 
 
 
 puts "OK reading single configuration"
 
 
+
+
+
+#Now I read and count a set of configurations
+
+#first I remove the previously stored configuration
+
+analyze remove 
+
+
+
+#The following 2 parameters are needed to read the saved configurations
+
+set my_increase 1
+
+set tot_config 200
+
+#for {set i 0} {$i < $tot_config} {incr i $my_increase} { lappend rdf_single 0}
+#puts "rdf_single is $rdf_single"
+# the previous avg_single is used only to contain the results of the statistics on a single configuration
+# in a convenient way.
+
+
 set cnt 0
-for {set i 0} {$i < 100} {incr i} { lappend avg_rdf 0}
+#for {set i 0} {$i < 200000} {incr i 200} { lappend avg_rdf 0}
 #this initializes to zero the an array by "back-pushing" (appending) every time a zero element to a list.
 
 set j 0
-while {$j<20} {
+while {$j< $tot_config} {
 puts "j is $j"
 set f [open "config_$j" "r"]
 while { [blockfile $f read auto] != "eof" } {}
 close $f
-set rdf [analyze rdf 0 0 0.9 [expr $box_l/2] 100]
-set rlist ""
-set rdflist ""
-foreach value [lindex $rdf 1] {
-lappend rlist [lindex $value 0]
-lappend rdflist [lindex $value 1] }
-set avg_rdf [vecadd $avg_rdf $rdflist]
+
+#Now I try retrieving the info about particle positions
+
+ analyze append 
+
+#puts "u is, $u "
+
+set w [analyze config]
+
+
+
 incr cnt
-incr j
+incr j $my_increase
 }
-set avg_rdf [vecscale [expr 1.0/$cnt] $avg_rdf]
+
+puts "the total number of read configurations is, $cnt"
 
 puts "ok reading the configurations"
 
-set plot [open "rdf.data" "w"]
-puts $plot "\# r rdf(r)"
-#the previous line adds a header to the file with the saved data
-foreach r $rlist rdf $avg_rdf { puts $plot "$r $rdf" }
-close $plot
+puts "w is, $w"
+
+set wlist ""
+
+set flag 0
 
 
-#plotObs "rdf.data" { 1:2 } labels { "time" "radial density" } out "radial_density_new"
-#exec gv radial_density_new.ps
-exec ./simulations_script 
-# the simulation script is bash script which calls and R code for the visualization of the results
+set i 0
+set j 0
+while {$j< $tot_config} {
+puts "j is, $j"
+foreach value [lindex $w $j] {
+
+#puts "value is, $value"
+
+set my_reading [lindex $w ]
+#puts "I am reading, $my_reading"
+
+lappend wlist [lindex $value ]
+incr i 1
+}
+incr j $my_increase
+}
+
+
+#puts "wlist is, $wlist"
+
+set obs3 [open "total_configuration.dat" "w"]
+
+foreach r $wlist  { puts $obs3 "$r" }
+close $obs3
 
 puts "So far so good"
\ No newline at end of file